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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H12NO.Cl
Molecular Weight 137.608
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE ALDEHYDE CHLORIDE

SMILES

[Cl-].C[N+](C)(C)CC=O

InChI

InChIKey=FSKVGWXINKZUKS-UHFFFAOYSA-M
InChI=1S/C5H12NO.ClH/c1-6(2,3)4-5-7;/h5H,4H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C5H12NO
Molecular Weight 102.1549
Charge 1
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 14:17:56 GMT 2023
Edited
by admin
on Sat Dec 16 14:17:56 GMT 2023
Record UNII
4QNX5TUR2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAINE ALDEHYDE CHLORIDE
Common Name English
(2-OXOETHYL)TRIMETHYLAMMONIUM CHLORIDE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-OXO-, CHLORIDE (1:1)
Systematic Name English
N,N,N-TRIMETHYL-2-OXOETHAN-1-AMINIUM CHLORIDE
Systematic Name English
(FORMYLMETHYL)TRIMETHYLAMMONIUM CHLORIDE
Systematic Name English
TRIMETHYL(2-OXOETHYL)AZANIUM CHLORIDE
Systematic Name English
AMMONIUM, (FORMYLMETHYL)TRIMETHYL-, CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
2735510
Created by admin on Sat Dec 16 14:17:56 GMT 2023 , Edited by admin on Sat Dec 16 14:17:56 GMT 2023
PRIMARY
CAS
7758-31-8
Created by admin on Sat Dec 16 14:17:56 GMT 2023 , Edited by admin on Sat Dec 16 14:17:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID10370761
Created by admin on Sat Dec 16 14:17:56 GMT 2023 , Edited by admin on Sat Dec 16 14:17:56 GMT 2023
PRIMARY
FDA UNII
4QNX5TUR2Z
Created by admin on Sat Dec 16 14:17:56 GMT 2023 , Edited by admin on Sat Dec 16 14:17:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE