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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
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 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
Radioactive labeling of defined HPMA-based polymeric structures using [18F]FETos for in vivo imaging by positron emission tomography.
2009 Jul 13
Dental DNA fingerprinting in identification of human remains.
2010 Jul
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
  • Download
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