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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H33NS
Molecular Weight 259.494
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(DODECYLTHIO)-1-PROPANAMINE

SMILES

CCCCCCCCCCCCSCCCN

InChI

InChIKey=AJJBNKUPXKYSKX-UHFFFAOYSA-N
InChI=1S/C15H33NS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H33NS
Molecular Weight 259.494
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:25:29 GMT 2023
Edited
by admin
on Sat Dec 16 13:25:29 GMT 2023
Record UNII
V4SGD88HFW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(DODECYLTHIO)-1-PROPANAMINE
Systematic Name English
NSC-141141
Code English
1-PROPANAMINE, 3-(DODECYLTHIO)-
Systematic Name English
PROPYLAMINE, 3-(DODECYLTHIO)-
Systematic Name English
Code System Code Type Description
FDA UNII
V4SGD88HFW
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY
CAS
29873-33-4
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID3067522
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY
NSC
141141
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-919-0
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY
PUBCHEM
97659
Created by admin on Sat Dec 16 13:25:29 GMT 2023 , Edited by admin on Sat Dec 16 13:25:29 GMT 2023
PRIMARY