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Basic information
- CAS
17794-44-4- Standard SMILES
CCCC(=O)NC- InChIKey
OLLZXQIFCRIRMH-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- N-Methylbutanamide
- IUPAC
- N-methylbutanamide
- English name
- N-Methylbutyramide
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
N-MethylbutyramideN-Methylbutanamide17794-44-4BUTYRAMIDE, N-METHYL-CAH76XQ8GRNSC-100554RefChem:1091943875-910-1Butanamide, N-methyl-Methyl butyric acid amideN-Methylbuttersaureamid [German]N-Methylbuttersaureamid
Show more names
NSC 100554BRN 1740744Butanamide, N-methyl- (9CI)n-methyl-butyramideNSC100554UNII-CAH76XQ8GRMETHYLBUTYRAMIDE, N-NCIOpen2_002065
Database identifiers
- CAS
17794-44-4- PubChem CID
- 28774
- DTXSID
DTXSID00170398- UNII
- CAH76XQ8GR
- EC Number
- 875-910-1
- Nikkaji
- J65.840E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61
Experimental & physicochemical properties
Kovats Retention Index1005
Physicochemical properties
- Melting point
- 110 · 110-111 °C
- Boiling point
- 120 · 120-123 °C(Press: 22 Torr)
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- pka
- 16.61 · 16.61±0.46(Predicted)
- FDA UNII
- 76 XQ8GR · CAH76XQ8GR
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
2 records
Compound notes
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