Basic information
- CAS
33663-58-0- Standard SMILES
CCCC(N)=CC(C)=O- InChIKey
GHUZFOVVVFWRQJ-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
Names & identifiers
- Preferred name
- 3-Hepten-2-one, 4-amino-
- IUPAC
- 4-aminohept-3-en-2-one
- English name
- 3-Hepten-2-one, 4-amino- (8CI)
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
3-HEPTEN-2-ONE, 4-AMINO-33663-58-0DB-2716873-Hepten-2-one, 4-amino- (8CI)
Database identifiers
- CAS
33663-58-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 210.783 · 210.783±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.928 · 5.928±0.70(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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