2-Azetidinone, 3-ethyl-N-methyl-3-phenyl-
Basic information
- CAS
1886-38-0- Standard SMILES
CCC1(c2ccccc2)CN(C)C1=O- InChIKey
MPEXVFWFXHUJME-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 2-Azetidinone, 3-ethyl-N-methyl-3-phenyl-
- IUPAC
- 3-ethyl-1-methyl-3-phenylazetidin-2-one
- English name
- 3-Ethyl-1-methyl-3-phenylazetidin-2-one
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
2-AZETIDINONE, 3-ETHYL-N-METHYL-3-PHENYL-RefChem:10622913-ethyl-1-methyl-3-phenylazetidin-2-one1886-38-0L 17433-Etil-3-metil-2-azetidinoneN-Methyl-3-phenyl-3-ethyl-2-azetidinone3-Ethyl-1-methyl-3-phenyl-2-azetidinone2-Azetidinone, 3-ethyl-1-methyl-3-phenyl-MLS003106711NSC 169419BRN 0158521
Show more names
L-1743
3-Etil-3-metil-2-azetidinone [Italian]4-21-00-03681 (Beilstein Handbook Reference)WLN: T4NVTJ A1 C2 CRNSC169419NSC-169419SMR001821603
Database identifiers
- CAS
1886-38-0- PubChem CID
- 15898
- Nikkaji
- J54.687I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 105 · 105-110 °C(Press: 0.5 Torr)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- -1.14 · -1.14±0.40(Predicted)
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Compound notes
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