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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16NO
Molecular Weight 130.208
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-Trimethylammoniobutanal

SMILES

C[N+](C)(C)CCCC=O

InChI

InChIKey=OITBLCDWXSXNCN-UHFFFAOYSA-N
InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
?-Butyrobetaine aldehyde
Preferred Name English
4-Trimethylammoniobutanal
Systematic Name English
1-Butanaminium, N,N,N-trimethyl-4-oxo-
Systematic Name English
N,N,N-Trimethyl-4-oxo-1-butanaminium
Systematic Name English
Code System Code Type Description
PUBCHEM
133
Created by admin on Mon Mar 31 19:57:33 GMT 2025 , Edited by admin on Mon Mar 31 19:57:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID20214844
Created by admin on Mon Mar 31 19:57:33 GMT 2025 , Edited by admin on Mon Mar 31 19:57:33 GMT 2025
PRIMARY
CAS
64595-66-0
Created by admin on Mon Mar 31 19:57:33 GMT 2025 , Edited by admin on Mon Mar 31 19:57:33 GMT 2025
PRIMARY
FDA UNII
WUJ5N66V6E
Created by admin on Mon Mar 31 19:57:33 GMT 2025 , Edited by admin on Mon Mar 31 19:57:33 GMT 2025
PRIMARY
NIH
NCATS
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