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

Details

Stereochemistry MIXED
Molecular Formula C6H15NO4
Molecular Weight 165.1876
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-Amino-2-hydroxypropoxy)propane-1,2-diol

SMILES

NCC(O)COCC(O)CO

InChI

InChIKey=PATNABGTIWTZEP-UHFFFAOYSA-N
InChI=1S/C6H15NO4/c7-1-5(9)3-11-4-6(10)2-8/h5-6,8-10H,1-4,7H2

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(3-Amino-2-hydroxypropoxy)propane-1,2-diol
Systematic Name English
1,2-Propanediol, 3-(3-amino-2-hydroxypropoxy)-
Preferred Name English
3-(3-Amino-2-hydroxypropoxy)-1,2-propanediol
Systematic Name English
Code System Code Type Description
CAS
163340-45-2
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
FDA UNII
X3VK75H6HV
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
PUBCHEM
15323034
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID00571467
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY