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Details

Stereochemistry RACEMIC
Molecular Formula C3H9NO.ClH
Molecular Weight 111.571
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPANOLAMMONIUM CHLORIDE

SMILES

Cl.CC(O)CN

InChI

InChIKey=CNGMQNNDKGEIMZ-UHFFFAOYSA-N
InChI=1S/C3H9NO.ClH/c1-3(5)2-4;/h3,5H,2,4H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 ( + / - )

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

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
335 mg/L
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
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
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
The mechanism of action of ethanolamine ammonia-lyase, an adenosylcobalamin-dependent enzyme. Studies with isopropanolamine, a true substrate.
1980 Aug 10
Myotropic effects of new proctolin analogues modified in the position 5 of peptide chain in insects.
2001 Jan-Feb
Thermal study of simple amino-alcohol solutions.
2002 Apr
Vibrational circular dichroism spectrum of 1-amino-2-propanol.
2002 Jul-Oct
Cytotoxicity of amino alcohols to rat hepatoma-derived Fa32 cells.
2002 May-Jun
Determination of the enantiomers of ketamine and norketamine in human plasma by enantioselective liquid chromatography-mass spectrometry.
2003 Aug 25
Composition and structure of agents responsible for development of water repellency in soils following oil contamination.
2003 Jul 1
Novel diphenylalkyl piperazine derivatives with high affinities for the dopamine transporter.
2003 Sep 1
Determination of the configuration of 3,6-anhydrogalactose and cyclizable alpha-galactose 6-sulfate units in red seaweed galactans.
2003 Sep 26
Chiral ligand exchange capillary electrophoresis using borate anion as a central ion.
2004 Dec
Highly enantioselective ruthenium-catalyzed reduction of ketones employing readily available Peptide ligands.
2004 Jan 5
Cassette dosing pharmacokinetics of a library of 2,6,9-trisubstituted purine cyclin-dependent kinase 2 inhibitors prepared by parallel synthesis.
2004 Mar
Persistence and biodegradation of monoethanolamine and 2-propanolamine at an abandoned industrial site.
2005 May 15
Stability-indicating methods for the determination of piretanide in presence of the alkaline induced degradates.
2005 Oct 4
1,4-Benzodiazepine N-nitrosoamidines: useful intermediates in the synthesis of tricyclic benzodiazepines.
2006 Aug 9
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
Biomass in the manufacture of industrial products--the use of proteins and amino acids.
2007 Jun
2-amino-1-propanol versus 1-amino-2-propanol: valence band and C 1s core-level photoelectron spectra.
2007 Oct 14
Cloning and expression of the L-1-amino-2-propanol dehydrogenase gene from Rhodococcus erythropolis, and its application to double chiral compound production.
2008 Sep
Combination chemotherapy and photodynamic therapy with fab' fragment targeted HPMA copolymer conjugates in human ovarian carcinoma cells.
2008 Sep-Oct
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
Radioactive labeling of defined HPMA-based polymeric structures using [18F]FETos for in vivo imaging by positron emission tomography.
2009 Jul 13
Facile fabrication method and characterization of hollow Ag/SiO2 double-shelled spheres.
2009 Jul 7
Aqueous two-phase extraction of 2,3-butanediol from fermentation broths by isopropanol/ammonium sulfate system.
2009 Mar
N-(2-hydroxypropyl)methacrylamide-amphotericin B (HPMA-AmB) copolymer conjugates as antileishmanial agents.
2009 May
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
Water-soluble polymer-drug conjugates for combination chemotherapy against visceral leishmaniasis.
2010 Apr 1
Effects of electrochemical reduction reactions on the biodegradation of recalcitrant organic compounds (ROCs) and bacterial community diversity.
2010 Aug
Dental DNA fingerprinting in identification of human remains.
2010 Jul
Enantioselective gel collapsing: a new means of visual chiral sensing.
2010 Jun 2
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
Charge-transfer complexes of 4-nitrocatechol with some amino alcohols.
2010 Mar
A phylogenetic estimate for golden moles (Mammalia, Afrotheria, Chrysochloridae).
2010 Mar 9
Translation elongation factor 1A facilitates the assembly of the tombusvirus replicase and stimulates minus-strand synthesis.
2010 Nov 4
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:46 GMT 2023
Record UNII
93J8D44RP4
Record Status Validated (UNII)
Record Version
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Name Type Language
ISOPROPANOLAMMONIUM CHLORIDE
Common Name English
ISOPROPANOLAMINE HYDROCHLORIDE, (±)-
Common Name English
1-AMINO-2-PROPANOL HYDROCHLORIDE
Systematic Name English
2-PROPANOL, 1-AMINO-, HYDROCHLORIDE
Systematic Name English
2-HYDROXYPROPYLAMINE HYDROCHLORIDE
Systematic Name English
2-PROPANOL, 1-AMINO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00884423
Created by admin on Sat Dec 16 08:28:46 GMT 2023 , Edited by admin on Sat Dec 16 08:28:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-948-5
Created by admin on Sat Dec 16 08:28:46 GMT 2023 , Edited by admin on Sat Dec 16 08:28:46 GMT 2023
PRIMARY
PUBCHEM
111033
Created by admin on Sat Dec 16 08:28:46 GMT 2023 , Edited by admin on Sat Dec 16 08:28:46 GMT 2023
PRIMARY
FDA UNII
93J8D44RP4
Created by admin on Sat Dec 16 08:28:46 GMT 2023 , Edited by admin on Sat Dec 16 08:28:46 GMT 2023
PRIMARY
CAS
7780-04-3
Created by admin on Sat Dec 16 08:28:46 GMT 2023 , Edited by admin on Sat Dec 16 08:28:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE