Azetidine, 3-p-tolyl-
Basic information
- CAS
7215-06-7- Standard SMILES
Cc1ccc(C2CNC2)cc1- InChIKey
BZYJWDPMIYLNOX-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Names & identifiers
- Preferred name
- Azetidine, 3-p-tolyl-
- IUPAC
- 3-(4-methylphenyl)azetidine
- English name
- 3-(4-methylphenyl)azetidine
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
7215-06-7AZETIDINE, 3-p-TOLYL-3-p-TolylazetidineL 2362BRN 1424151DTXSID302224755-20-06-00367 (Beilstein Handbook Reference)RefChem:320376DTXCID301449663-(p-tolyl)azetidine3-(4-methylphenyl)azetidineSCHEMBL16994772
Show more names
Azetidine, 3-(4-methylphenyl)-
GS0567MFCD01665447AKOS006359559SY267182EN300-1827611
Database identifiers
- CAS
7215-06-7- PubChem CID
- 23624
- DTXSID
DTXSID30222475- Nikkaji
- J84.709G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 83 °C · 83 °C(Press: 0.4 Torr)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 10.73 · 10.73±0.40(Predicted)
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Compound notes
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