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
Highly enantioselective ruthenium-catalyzed reduction of ketones employing readily available Peptide ligands.	2004 Jan 5	14695575
2-amino-1-propanol versus 1-amino-2-propanol: valence band and C 1s core-level photoelectron spectra.	2007 Oct 14	17935400
Aqueous two-phase extraction of 2,3-butanediol from fermentation broths by isopropanol/ammonium sulfate system.	2009 Mar	18979212
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
Molecular structure and hydrogen bonding of 2-aminoethanol, 1-amino-2-propanol, 3-amino-1-propanol, and binary mixtures with water studied by Fourier transform near-infrared spectroscopy and density functional theory calculations.	2010 Mar	20223073
A phylogenetic estimate for golden moles (Mammalia, Afrotheria, Chrysochloridae).	2010 Mar 9	20214773

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