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

Details

Stereochemistry RACEMIC
Molecular Formula C5H13NO.ClH
Molecular Weight 139.624
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Valinol hydrochloride, DL-

SMILES

Cl.CC(C)C(N)CO

InChI

InChIKey=CYONGLLQMUYOPP-UHFFFAOYSA-N
InChI=1S/C5H13NO.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C5H13NO
Molecular Weight 103.1628
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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 19:19:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:19:56 GMT 2023
Record UNII
8A5B3BL94A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Valinol hydrochloride, DL-
Common Name English
1-Butanol, 2-amino-3-methyl-, hydrochloride, DL-
Systematic Name English
1-Butanol, 2-amino-3-methyl-, hydrochloride (1:1)
Systematic Name English
2-Amino-3-methylbutan-1-ol hydrochloride
Systematic Name English
Code System Code Type Description
CAS
17016-90-9
Created by admin on Sat Dec 16 19:19:56 GMT 2023 , Edited by admin on Sat Dec 16 19:19:56 GMT 2023
PRIMARY
PUBCHEM
71299785
Created by admin on Sat Dec 16 19:19:56 GMT 2023 , Edited by admin on Sat Dec 16 19:19:56 GMT 2023
PRIMARY
FDA UNII
8A5B3BL94A
Created by admin on Sat Dec 16 19:19:56 GMT 2023 , Edited by admin on Sat Dec 16 19:19:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE