2-Methyl-1-phenylazetidine
Basic information
- CAS
55702-57-3- Standard SMILES
CC1CCN1c1ccccc1- InChIKey
QZUZWEHGQZQTAF-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Names & identifiers
- Preferred name
- 2-Methyl-1-phenylazetidine
- IUPAC
- 2-methyl-1-phenylazetidine
- English name
- 2-Methyl-1-phenylazetidine
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
Azetidine, 2-methyl-1-phenyl-2-Methyl-1-phenylazetidine55702-57-3NSC1482692-Methyl-1-phenylazetidine #SCHEMBL1032309SCHEMBL3611590SCHEMBL23780525DTXSID50302061QZUZWEHGQZQTAF-UHFFFAOYSA-NNSC-148269
Database identifiers
- CAS
55702-57-3- PubChem CID
- 287987
- DTXSID
DTXSID50302061- Nikkaji
- J113.102H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 226.4 · 226.4±9.0 °C(Predicted)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.40(Predicted)
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Related reactions
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Compound notes
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