Basic information
- CAS
24431-54-7- Standard SMILES
CC(=O)NCCCC=O- InChIKey
DDSLGZOYEPKPSJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
4-acetamidobutanal is a monocarboxylic acid amide and an alpha-CH2-containing aldehyde. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a butanal.
Names & identifiers
- Preferred name
- 4-Acetamidobutanal
- IUPAC
- N-(4-oxobutyl)acetamide
Names & synonyms
4-acetamidobutanalN4-Acetylaminobutanal24431-54-7CHEBI:7386N-acetyl-gamma-aminobutyraldehydeDTXSID30331531RefChem:97603DTXCID80282625N-(4-oxobutyl)acetamideN-acetyl-4-aminobutanal4-(acetylamino)butanal4-Acetamidobutyraldehyde
Show more names
C05936SCHEMBL293573SCHEMBL293574orb3179850DDSLGZOYEPKPSJ-UHFFFAOYSA-NAKOS006348119EN300-7233403Q27107484
Database identifiers
- CAS
24431-54-7- PubChem CID
- 440850
- DTXSID
DTXSID30331531- ChEBI
CHEBI:7386- Nikkaji
- J763.548F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
LogP-0.266
Physical DescriptionSolid
Related reactions
4 records
Compound notes
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