3-methyl-3-(N-methylanilino)butan-2-one
Basic information
- CAS
56957-50-7- Standard SMILES
CC(=O)C(C)(C)N(C)c1ccccc1- InChIKey
QVQAHLWWQOGKTG-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 3-methyl-3-(N-methylanilino)butan-2-one
- IUPAC
- 3-methyl-3-(N-methylanilino)butan-2-one
Names & synonyms
NSC23470956957-50-7DTXSID30310967NSC-2347093-Methyl-3-[methyl(phenyl)amino]butan-2-one
Database identifiers
- CAS
56957-50-7- PubChem CID
- 314818
- DTXSID
DTXSID30310967
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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