2-(Aziridin-1-yl)-2-methyl-1-phenylpropan-1-one
Basic information
- CAS
1012-75-5- Standard SMILES
CC(C)(C(=O)c1ccccc1)N1CC1- InChIKey
KKBCUBSVCGHNOT-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)-2-methyl-1-phenylpropan-1-one
- IUPAC
- 2-(aziridin-1-yl)-2-methyl-1-phenylpropan-1-one
Names & synonyms
1012-75-52-(aziridin-1-yl)-2-methyl-1-phenylpropan-1-oneNSC409220DTXSID60325201NSC-409220
Database identifiers
- CAS
1012-75-5- PubChem CID
- 349459
- DTXSID
DTXSID60325201
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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