1-[(Propan-2-yl)amino]propan-2-one
Basic information
- CAS
763025-68-9- Standard SMILES
CC(=O)CNC(C)C- InChIKey
YLSKXOORRICBCF-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
Names & identifiers
- Preferred name
- 1-[(Propan-2-yl)amino]propan-2-one
- IUPAC
- 1-(propan-2-ylamino)propan-2-one
- English name
- 2-Propanone, 1-[(1-methylethyl)amino]- (9CI)
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
1-[(propan-2-yl)amino]propan-2-one763025-68-9SCHEMBL12130447AKOS006221222DB-282274EN300-2263222-PROPANONE, 1-[(1-METHYLETHYL)AMINO]-1-(Isopropylamino)propan-2-one2-Propanone, 1-[(1-methylethyl)amino]- (9CI)
Database identifiers
- CAS
763025-68-9
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.6
Physicochemical properties
- Boiling point
- 145.8 · 145.8±23.0 °C(Predicted)
- Density
- 0.86 · 0.860±0.06 g/cm3(Predicted)
- pka
- 8.05 · 8.05±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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