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 C21H42N2.C2H4O2
Molecular Weight 382.6235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

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

SMILES

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

InChI

InChIKey=YSVKCMZCMDRJPW-NBTZWHCOSA-N
InChI=1S/C21H42N2.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/h6-7,9-10,23H,2-5,8,11-22H2,1H3;1H3,(H,3,4)/b7-6-,10-9-;

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H42N2
Molecular Weight 322.5716
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
F55CUT07SN
Record Status Validated (UNII)
Record Version