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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H13NO2
Molecular Weight 143.1836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CROTONOBETAINE

SMILES

C[N+](C)(C)C\C=C\C([O-])=O

InChI

InChIKey=GUYHPGUANSLONG-SNAWJCMRSA-N
InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+

HIDE SMILES / InChI

Approval Year

Name Type Language
CROTONOBETAINE
Common Name English
4-(TRIMETHYLAZANIUMYL)BUT-2-ENOATE
Common Name English
CROTONOYLBETAINE
Common Name English
2-PROPEN-1-AMINIUM,3-CARBOXY-N,N,N-TRIMETHYL-, INNER SALT
Systematic Name English
2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, INNER SALT, (2E)-
Systematic Name English
(E)-4-TRIMETHYLAZANIUMYLBUT-2-ENOATE
Systematic Name English
TRANS-CROTONOBETAINE
Common Name English
Code System Code Type Description
CAS
927-89-9
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
ZJ9SA2P3K7
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
PRIMARY
CAS
6778-30-9
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
PRIMARY
PUBCHEM
5280649
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID401192741
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
PRIMARY
CHEBI
17237
Created by admin on Sat Dec 16 18:28:51 UTC 2023 , Edited by admin on Sat Dec 16 18:28:51 UTC 2023
PRIMARY