U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C21H44N2.C2H4O2
Molecular Weight 384.6394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-OLEYL-1,3-PROPANEDIAMINE MONOACETATE

SMILES

CC(O)=O.CCCCCCCC\C=C/CCCCCCCCNCCCN

InChI

InChIKey=VRZCLRBQXKWXBG-KVVVOXFISA-N
InChI=1S/C21H44N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;1H3,(H,3,4)/b10-9-;

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-PROPANEDIAMINE, N-(9Z)-9-OCTADECENYL-, ACETATE
Preferred Name English
N-OLEYL-1,3-PROPANEDIAMINE MONOACETATE
Systematic Name English
1,3-PROPANEDIAMINE, N-9-OCTADECENYL-, ACETATE (1:1), (Z)-
Systematic Name English
N-OLEYL-1,3-PROPANEDIAMINE ACETATE
Systematic Name English
N-((Z)-OCTADEC-9-ENYL)PROPANE-1,3-DIAMINE ACETATE
Systematic Name English
1,3-PROPANEDIAMINE, N-9-OCTADECENYL-, MONOACETATE, (Z)-
Systematic Name English
1,3-PROPANEDIAMINE, N1-((9Z)-9-OCTADECEN-1-YL)-, ACETATE (1:1)
Systematic Name English
N-((9Z)-OCTADEC-9-EN-1-YL)PROPANE-1,3-DIAMINE ACETATE (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 67327
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
272-507-7
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
PRIMARY
PUBCHEM
6437673
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
PRIMARY
CAS
68856-30-4
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
NON-SPECIFIC STOICHIOMETRY
FDA UNII
JT5X446V1O
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
PRIMARY
CAS
7173-66-2
Created by admin on Mon Mar 31 22:16:14 GMT 2025 , Edited by admin on Mon Mar 31 22:16:14 GMT 2025
PRIMARY