U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of ISOPROPANOLAMINE

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

Description

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

ValueDoseCo-administeredAnalytePopulation
335 mg/L
21 mL single, oral
ACETONE serum
Homo sapiens
258 mg/L
21 mL single, oral
ISOPROPYL ALCOHOL serum
Homo sapiens

Overview

CYP3A4CYP2C9CYP2D6hERG


OverviewOther

Other InhibitorOther SubstrateOther Inducer




Drug as perpetrator​

PubMed

Substance Class Chemical
Record UNII
UE40BY1BZW
Record Status Validated (UNII)
Record Version