2-Pentanone, 3-amino-3-methyl-
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Basic information
- CAS
40702-55-4- Standard SMILES
CCC(C)(N)C(C)=O- InChIKey
POTNYRMQXLSHQF-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- 2-Pentanone, 3-amino-3-methyl-
- IUPAC
- 3-amino-3-methylpentan-2-one
- English name
- 2-Pentanone, 3-amino-3-methyl- (9CI)
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
SCHEMBL2354822SCHEMBL27738750AKOS0063658652-PENTANONE, 3-AMINO-3-METHYL-40702-55-4DB-2706493-amino-3-methylpentan-2-one2-Pentanone, 3-amino-3-methyl- (9CI)
Database identifiers
- CAS
40702-55-4- PubChem CID
- 12462056
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 77 · 77-78 °C
- Boiling point
- 155.5 · 155.5±23.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- pka
- 8.19 · 8.19±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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