Basic information
- CAS
7215-21-6- Standard SMILES
CC(C)C1(c2ccccc2)CNC1- InChIKey
JWJFFUAMBFMULY-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Azetidine, 3-isopropyl-3-phenyl-
- IUPAC
- 3-phenyl-3-propan-2-ylazetidine
- English name
- 3-Isopropyl-3-phenylazetidine
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
7215-21-63-Isopropyl-3-phenylazetidineAZETIDINE, 3-ISOPROPYL-3-PHENYL-BRN 01258583-Isopropil-3-fenilazetidina3-Isopropil-3-fenilazetidina [Italian]DTXSID002224874-20-00-03060 (Beilstein Handbook Reference)RefChem:320372DTXCID001449783-Phenyl-3-(propan-2-yl)azetidineSCHEMBL11225625
Show more names
Azetidine, 3-(1-methylethyl)-3-phenyl-
EN300-254084
Database identifiers
- CAS
7215-21-6- PubChem CID
- 23636
- DTXSID
DTXSID00222487- Nikkaji
- J84.696A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 36 · 36-38 °C
- Boiling point
- 81 · 81-83 °C(Press: 0.5-0.6 Torr)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 10.57 · 10.57±0.40(Predicted)
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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