3-Methyl-4-(methylamino)but-3-en-2-one
Basic information
- CAS
51479-87-9- Standard SMILES
CNC=C(C)C(C)=O- InChIKey
SISDVTKLAALOJE-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 3-Methyl-4-(methylamino)but-3-en-2-one
- IUPAC
- 3-methyl-4-(methylamino)but-3-en-2-one
- English name
- 3-Buten-2-one, 3-methyl-4-(methylamino)- (7CI,9CI)
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
51479-87-93-Methyl-4-(methylamino)but-3-en-2-oneDTXSID60724038DB-2828723-BUTEN-2-ONE, 3-METHYL-4-(METHYLAMINO)-3-Buten-2-one, 3-methyl-4-(methylamino)- (7CI,9CI)
Database identifiers
- CAS
51479-87-9- PubChem CID
- 57358168
- DTXSID
DTXSID60724038
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 195 · 195.0±23.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.70(Predicted)
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Compound notes
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