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Details

Stereochemistry ACHIRAL
Molecular Formula C7H13NO2
Molecular Weight 143.1836
Optical Activity NONE
Defined Stereocenters 0 / 1
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

Molecular Formula C7H13NO2
Molecular Weight 143.1836
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:18:50 GMT 2025
Edited
by admin
on Wed Apr 02 11:18:50 GMT 2025
Record UNII
ZJ9SA2P3K7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(TRIMETHYLAZANIUMYL)BUT-2-ENOATE
Preferred Name English
CROTONOBETAINE
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 Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
ZJ9SA2P3K7
Created by admin on Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
PRIMARY
CAS
6778-30-9
Created by admin on Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
PRIMARY
PUBCHEM
5280649
Created by admin on Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID401192741
Created by admin on Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
PRIMARY
CHEBI
17237
Created by admin on Wed Apr 02 11:18:50 GMT 2025 , Edited by admin on Wed Apr 02 11:18:50 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP