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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H17NO
Molecular Weight 131.216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Isopropylamino)butanol

SMILES

CC(C)NCCCCO

InChI

InChIKey=IPLWOCGPIGUXOR-UHFFFAOYSA-N
InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H17NO
Molecular Weight 131.216
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 Wed Apr 02 19:30:49 GMT 2025
Edited
by admin
on Wed Apr 02 19:30:49 GMT 2025
Record UNII
SXN9KU5QB5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butanol, 4-[(1-methylethyl)amino]-
Preferred Name English
4-(Isopropylamino)butanol
Systematic Name English
4-[(1-Methylethyl)amino]-1-butanol
Systematic Name English
Code System Code Type Description
FDA UNII
SXN9KU5QB5
Created by admin on Wed Apr 02 19:30:49 GMT 2025 , Edited by admin on Wed Apr 02 19:30:49 GMT 2025
PRIMARY
CAS
42042-71-7
Created by admin on Wed Apr 02 19:30:49 GMT 2025 , Edited by admin on Wed Apr 02 19:30:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID70513753
Created by admin on Wed Apr 02 19:30:49 GMT 2025 , Edited by admin on Wed Apr 02 19:30:49 GMT 2025
PRIMARY
PUBCHEM
12950986
Created by admin on Wed Apr 02 19:30:49 GMT 2025 , Edited by admin on Wed Apr 02 19:30:49 GMT 2025
PRIMARY