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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H22N2
Molecular Weight 170.2951
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Cyclohexylbutane-1,4-diamine

SMILES

NCCCCNC1CCCCC1

InChI

InChIKey=XXCZIZBMFPDINL-UHFFFAOYSA-N
InChI=1S/C10H22N2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10,12H,1-9,11H2

HIDE SMILES / InChI

Molecular Formula C10H22N2
Molecular Weight 170.2951
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 Tue Apr 01 18:51:27 GMT 2025
Edited
by admin
on Tue Apr 01 18:51:27 GMT 2025
Record UNII
S6SQ4PR628
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-Butanediamine, N1-cyclohexyl-
Preferred Name English
N-Cyclohexylbutane-1,4-diamine
Systematic Name English
N1-Cyclohexyl-1,4-butanediamine
Systematic Name English
Code System Code Type Description
CAS
79419-72-0
Created by admin on Tue Apr 01 18:51:27 GMT 2025 , Edited by admin on Tue Apr 01 18:51:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
279-154-8
Created by admin on Tue Apr 01 18:51:27 GMT 2025 , Edited by admin on Tue Apr 01 18:51:27 GMT 2025
PRIMARY
PUBCHEM
54364
Created by admin on Tue Apr 01 18:51:27 GMT 2025 , Edited by admin on Tue Apr 01 18:51:27 GMT 2025
PRIMARY
FDA UNII
S6SQ4PR628
Created by admin on Tue Apr 01 18:51:27 GMT 2025 , Edited by admin on Tue Apr 01 18:51:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID10229649
Created by admin on Tue Apr 01 18:51:27 GMT 2025 , Edited by admin on Tue Apr 01 18:51:27 GMT 2025
PRIMARY