ISOPROPANOLAMINE

US Approved OTC

Details

Stereochemistry	RACEMIC
Molecular Formula	C3H9NO
Molecular Weight	75.1097
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)CN

InChI

InChIKey=HXKKHQJGJAFBHI-UHFFFAOYSA-N

InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C3H9NO
Molecular Weight	75.1097
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://worldaccount.basf.com/wa/NAFTA~en_US/Catalog/ChemicalsNAFTA/info/BASF/PRD/30036886

Isopropanolamine (1-Amino-2-propanol) is a colorless to yellowish liquid with an amine-like odor. It is miscible in water. Intermediate used in the production of dyes, lubrification oils, corrosion inhibitor, detergents, cutting fluids.

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
335 mg/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/2914047/	21 mL single, oral dose: 21 mL route of administration: Oral experiment type: SINGLE co-administered:		ACETONE serum	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
258 mg/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/2914047/	21 mL single, oral dose: 21 mL route of administration: Oral experiment type: SINGLE co-administered:		ISOPROPYL ALCOHOL serum	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1587		activator 23

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP2A6 707 CYP2C8/9 44 CYP2C19 1478 CYP2E1 882

Drug as perpetrator

Target	Modality	Activity
CYP1A2 1692	activator 214 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 37.0	yes
CYP2A6 739	inhibitor 3277 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 59.0	yes
CYP2C19 1553	inhibitor 3277 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 122.0	yes
CYP2C8/9 44	inhibitor 3277 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 84.0	yes
CYP2D6 1891	activator 214 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 150.0	yes
CYP2E1 970	inhibitor 3277 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 165.0	yes
CYP3A4 1925	inhibitor 3277 Sources: https://www.tandfonline.com/doi/abs/10.1081/DMR-120001392?journalCode=idmr20 Page: 226.0	yes

Sourcing

Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B4-0702	http://www.3bsc.com/index/pro_info.php?id=18550
3B Scientific (Wuhan) Corp	3B4-0703	http://www.3bsc.com/index/pro_info.php?id=18551
3B Scientific (Wuhan) Corp	3B4-0704	http://www.3bsc.com/index/pro_info.php?id=18552
3B Scientific (Wuhan) Corp	3B4-0705	http://www.3bsc.com/index/pro_info.php?id=18553
3B Scientific (Wuhan) Corp	3B4-0706	http://www.3bsc.com/index/pro_info.php?id=18554
Acadechem	ACDS-021196	http://www.acadechemical.com/product/95895
Achemica	ACMC-1BI1R	http://www.achemica.com/prodinfo/?id=53691
Acros Organics	AC184130010	https://www.fishersci.com/shop/products/isopropanol-99-5-analysis-acros-organics-1/AC184130010
Acros Organics	AC149320050	https://www.fishersci.com/shop/products/isopropanol-99-5-pure-acros-organics/AC149320050
Acros Organics	AC149320100	https://www.fishersci.com/shop/products/isopropanol-99-5-pure-acros-organics/AC149320100
Acros Organics	AC149320250	https://www.fishersci.com/shop/products/isopropanol-99-5-pure-acros-organics/AC149320250
Acros Organics	AC167880025	https://www.fishersci.com/shop/products/isopropanol-99-spectroscopy-acros-organics/AC167880025
Alfa Aesar	19397	https://www.alfa.com/en/catalog/019397/
Alfa Aesar	22906	https://www.alfa.com/en/catalog/022906/
Alfa Aesar	36644	https://www.alfa.com/en/catalog/036644/
Alfa Aesar	39194	https://www.alfa.com/en/catalog/039194/
Alfa Aesar	40983	https://www.alfa.com/en/catalog/040983/
Angene	AGN-PC-00UNTP	http://www.angenechemical.com/productshow/AGN-PC-00UNTP.html
Anward	ANW-35384	http://www.anward.com/pro_result/24763
Avantor Inc	101224-374	https://us.vwr.com/store/catalog/product.jsp?catalog_number=101224-374
Avantor Inc	101225-224	https://us.vwr.com/store/catalog/product.jsp?catalog_number=101225-224
Avantor Inc	101225-384	https://us.vwr.com/store/catalog/product.jsp?catalog_number=101225-384
Avantor Inc	100203-782	https://us.vwr.com/store/product/23784677/zirconium-iv-isopropoxide-isopropanol-complex-99-9-zr-basis
Avantor Inc	100209-344	https://us.vwr.com/store/product/23784677/zirconium-iv-isopropoxide-isopropanol-complex-99-9-zr-basis
BOC Sciences	21388-65-8	https://www.bocsci.com/2-propanol-2-13c-cas-21388-65-8-item-237647.html
BOC Sciences	3972-26-7	https://www.bocsci.com/2-propanol-2-d1-cas-3972-26-7-item-189013.html
BOC Sciences	22739-76-0	https://www.bocsci.com/2-propanol-d8-cas-22739-76-0-item-71546.html
BOC Sciences	3979-51-9	https://www.bocsci.com/2-propanol-od-cas-3979-51-9-item-21415.html
BOC Sciences	33225-60-4	https://www.bocsci.com/iso-propyl-1-1-1-2-d4-alcohol-cas-33225-60-4-item-79216.html
BenchChem	B130326	https://www.benchchem.com/product/b130326
BioSynth	J-510285	https://www.biosynth.com/en/products/all-products/products/J-510285.html
ChemMol	49416486	http://www.chemmol.com/chemmol/49416486.html
ChemMol	49425946	http://www.chemmol.com/chemmol/49425946.html
ChemMol	99122229	http://www.chemmol.com/chemmol/99122229.html
Clearsynth	CS-CE-00826	https://www.clearsynth.com/en/CSCE00826.html
Clearsynth	CS-EB-01797	https://www.clearsynth.com/en/CSEB01797.html
Clearsynth	CS-ER-01789	https://www.clearsynth.com/en/CSER01789.html
Combi-Blocks	QF-2636	http://www.combi-blocks.com/cgi-bin/find.cgi?QF-2636
Finetech	FT-0670483	http://www.finetechnology-ind.com/prod/detail/pub/19214-96-1.html
Finetech	FT-0613371	http://www.finetechnology-ind.com/prod/detail/pub/22739-76-0.html
Fisher Chemical	A4161	https://www.fishersci.com/shop/products/2-propanol-certified-acs-plus-fisher-chemical-8/p-216318
Fisher Chemical	A41620	https://www.fishersci.com/shop/products/2-propanol-certified-acs-plus-fisher-chemical-8/p-216318
Fisher Chemical	A416200	https://www.fishersci.com/shop/products/2-propanol-certified-acs-plus-fisher-chemical-8/p-216318
Fisher Chemical	A41520	https://www.fishersci.com/shop/products/2-propanol-laboratory-fisher-chemical-2/p-216344
Fisher Chemical	A4154	https://www.fishersci.com/shop/products/2-propanol-laboratory-fisher-chemical-2/p-216344
Glentham Life Sciences	GK9172	http://www.glentham.com/products/product/GK9172/
LGC Standards	DRE-A16415200AL-100	https://www.lgcstandards.com/US/en/p/DRE-A16415200AL-100
LGC Standards	DRE-C16415200	https://www.lgcstandards.com/US/en/p/DRE-C16415200
LGC Standards	DRE-C16415200-5ML	https://www.lgcstandards.com/US/en/p/DRE-C16415200-5ML
MolPort	MolPort-000-871-957	https://www.molport.com/shop/molecule-link/MolPort-000-871-957
MuseChem	R045808	https://www.musechem.com/product/R045808.html
Oakwood	98379	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=151563&ExtHyperLink=1
Oakwood	102166	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=170678&ExtHyperLink=1
Oakwood	102226	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=171460&ExtHyperLink=1
Oakwood	35913	http://www.oakwoodchemical.com/ProductsList.aspx?CategoryID=-2&txtSearch=29789&ExtHyperLink=1
Parchem	31601	http://www.parchem.com/chemical-supplier-distributor/Isopropanol-Recovered--021601.aspx
Parchem	612	http://www.parchem.com/chemical-supplier-distributor/Isopropyl-Alcohol-001340.aspx
Parchem	26231	http://www.parchem.com/chemical-supplier-distributor/Isopropyl-Alcohol-C--016231.aspx
Parchem	26232	http://www.parchem.com/chemical-supplier-distributor/Isopropyl-Alcohol-GMP-016232.aspx
Parchem	17787	http://www.parchem.com/chemical-supplier-distributor/Isopropyl-Alcohol-Reagent-Grade-ACS-007787.aspx
Renno Tech	RL04582	http://www.rennotech.com/product_show.asp?id=4831
Sigma-Aldrich	15-2320_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/152320?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	15-2330_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/152330?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	15-2347_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/152347?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	15-2350_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/152350?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	109827_SIGALD	https://www.sigmaaldrich.com/catalog/product/sigald/109827?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sinfoo Biotech	S005539	http://www.sinfoobiotech.com/product/1008937
Smolecule	S580537	https://www.smolecule.com/products/s580537
TCI (Tokyo Chemical Industry)	I0163	http://www.tcichemicals.com/eshop/en/us/commodity/I0163/index.html
TCI (Tokyo Chemical Industry)	I0164	http://www.tcichemicals.com/eshop/en/us/commodity/I0164/index.html
TCI (Tokyo Chemical Industry)	I0277	http://www.tcichemicals.com/eshop/en/us/commodity/I0277/index.html
THE BioTek	bt-459805	https://www.thebiotek.com/product/others/bt-459805
VladaChem	VL190074	https://www.vladachem.com/product.php?products=19236-15-8
VladaChem	VL144024	https://www.vladachem.com/product.php?products=67-63-0
VladaChem	VL160655	https://www.vladachem.com/product.php?products=67-63-0
VladaChem	VL162232	https://www.vladachem.com/product.php?products=67-63-0
VladaChem	VL162253	https://www.vladachem.com/product.php?products=67-63-0
abcr GmbH	AB153751	http://www.abcr.com/shop/en/AB153751
abcr GmbH	AB168124	http://www.abcr.com/shop/en/AB168124
abcr GmbH	AB172606	http://www.abcr.com/shop/en/AB172606
abcr GmbH	AB204204	http://www.abcr.com/shop/en/AB204204
abcr GmbH	AB208163	http://www.abcr.com/shop/en/AB208163
iChemical	EBD10076	http://www.ichemical.com/products/67-63-0.html?utm_source=PubChem&utm_medium=website&utm_campaign=product%20catalogs
mcule	MCULE-6646752234	https://mcule.com/MCULE-6646752234/

PubMed

Title	Date	PubMed
The mechanism of action of ethanolamine ammonia-lyase, an adenosylcobalamin-dependent enzyme. Studies with isopropanolamine, a true substrate.	1980 Aug 10	7391090
Myotropic effects of new proctolin analogues modified in the position 5 of peptide chain in insects.	2001 Jan-Feb	11785908
Thermal study of simple amino-alcohol solutions.	2002 Apr	12151270
Vibrational circular dichroism spectrum of 1-amino-2-propanol.	2002 Jul-Oct	12206498
Cytotoxicity of amino alcohols to rat hepatoma-derived Fa32 cells.	2002 May-Jun	12106009
Composition and structure of agents responsible for development of water repellency in soils following oil contamination.	2003 Jul 1	12875390
Novel diphenylalkyl piperazine derivatives with high affinities for the dopamine transporter.	2003 Sep 1	12927856
Determination of the configuration of 3,6-anhydrogalactose and cyclizable alpha-galactose 6-sulfate units in red seaweed galactans.	2003 Sep 26	14505879
Highly enantioselective ruthenium-catalyzed reduction of ketones employing readily available Peptide ligands.	2004 Jan 5	14695575
Stability-indicating methods for the determination of piretanide in presence of the alkaline induced degradates.	2005 Oct 4	16223647
A novel NADP+-dependent L-1-amino-2-propanol dehydrogenase from Rhodococcus erythropolis MAK154: a promising enzyme for the production of double chiral aminoalcohols.	2006 Oct	16965375
Biomass in the manufacture of industrial products--the use of proteins and amino acids.	2007 Jun	17387469
2-amino-1-propanol versus 1-amino-2-propanol: valence band and C 1s core-level photoelectron spectra.	2007 Oct 14	17935400
Photolysis of adenosylcobalamin and radical pair recombination in ethanolamine ammonia-lyase probed on the micro- to millisecond time scale by using time-resolved optical absorption spectroscopy.	2009 Jan 13	19072291
N-(2-hydroxypropyl)methacrylamide-amphotericin B (HPMA-AmB) copolymer conjugates as antileishmanial agents.	2009 May	19097763
Comparative application of microwave, ultrasonication, ultracentrifugation and conventional heating for preparation of sample as dinitrophenyl derivative for direct enantioseparation of certain amino alcohols and 1-amino-2-propanol from vitamin B12 hydrolysate on alpha1-acid glycoprotein and beta-cyclodextrin columns.	2009 Nov 6	19800629
Dental DNA fingerprinting in identification of human remains.	2010 Jul	21731342
Translation elongation factor 1A facilitates the assembly of the tombusvirus replicase and stimulates minus-strand synthesis.	2010 Nov 4	21079685

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:31:40 GMT 2023` Edited by `admin` on `Fri Dec 15 19:31:40 GMT 2023`
Record UNII	UE40BY1BZW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPROPANOLAMINE

Official Name

English

NSC-3188

Code

English

1-AMINO-2-PROPANOL [FHFI]

Common Name

English

DL-1-AMINO-2-PROPANOL

Common Name

English

1-AMINO-2-PROPANOL, (±)-

Systematic Name

English

2-AMINO-1-METHYLETHANOL

Systematic Name

English

(RS)-1-AMINO-2-PROPANOL

Systematic Name

English

2-PROPANOL, 1-AMINO-

Systematic Name

English

2-HYDROXYPROPANAMINE

Systematic Name

English

2-HYDROXY-1-PROPANAMINE

Systematic Name

English

1-AMINO-2-PROPANOL [HSDB]

Common Name

English

1-AMINO-2-HYDROXYPROPANE

Systematic Name

English

MONOISOPROPANOLAMINE

Common Name

English

1-AMINO-2-PROPANOL

Systematic Name

English

ALPHA-AMINOISOPROPYL ALCOHOL

Common Name

English

ISOPROPANOLAMINE [INCI]

Common Name

English

1-METHYL-2-AMINOETHANOL

Systematic Name

English

2-HYDROXYPROPYLAMINE

Systematic Name

English

(RS)-1-AMINO-2-HYDROXYPROPANE

Systematic Name

English

THREAMINE

Common Name

English

FEMA NO. 3965

Code

English

(±)-1-AMINO-2-PROPANOL

Systematic Name

English

(2-HYDROXY-2-METHYLETHYL)AMINE

Systematic Name

English

2-HYDROXY-1-PROPYLAMINE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

1-AMINO-2-PROPANOL