Basic information
- CAS
18938-03-9- Standard SMILES
C=C(C)CC(N)=O- InChIKey
FQGPWDVZYOJHCB-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- 3-Methyl-3-butenamide
- IUPAC
- 3-methylbut-3-enamide
- English name
- 3-ButenaMide, 3-Methyl-
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
3-Methyl-3-butenamide3-Butenamide, 3-methyl-3-methylbut-3-enamide18938-03-9V0OB67N1GBUNII-V0OB67N1GBisopropenyl acetamideSCHEMBL1561275FQGPWDVZYOJHCB-UHFFFAOYSA-NAKOS0063420493-methyl-but-3-enoic acid amide
Database identifiers
- CAS
18938-03-9- PubChem CID
- 10240768
- UNII
- V0OB67N1GB
- Nikkaji
- J925.259B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 96.3
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 212 · 212.0±19.0 °C(Predicted)
- Density
- 0.928 · 0.928±0.06 g/cm3(Predicted)
- pka
- 16.29 · 16.29±0.40(Predicted)
- FDA UNII
- 0 OB67N1GB · V0OB67N1GB
Chemistry & industry
Suppliers2 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
2 records
Compound notes
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