(2E)-4-Chloro-3,3-dimethyl-N-(4-methylphenyl)butan-2-imine
Basic information
- CAS
115437-04-2- Standard SMILES
CC(=Nc1ccc(C)cc1)C(C)(C)CCl- InChIKey
SXPZYOLARLOEIP-UHFFFAOYSA-N- Molecular formula
- C13H18ClN
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.1127773
Names & identifiers
- Preferred name
- (2E)-4-Chloro-3,3-dimethyl-N-(4-methylphenyl)butan-2-imine
- IUPAC
- 4-chloro-3,3-dimethyl-N-(4-methylphenyl)butan-2-imine
Names & synonyms
115437-04-2DTXSID30556904(2E)-4-Chloro-3,3-dimethyl-N-(4-methylphenyl)butan-2-imine
Database identifiers
- CAS
115437-04-2- PubChem CID
- 14171925
- DTXSID
DTXSID30556904
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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