3-(4-Chlorophenyl)azetidine
Basic information
- CAS
7215-02-3- Standard SMILES
Clc1ccc(C2CNC2)cc1- InChIKey
UPXXQMBUBSHBEZ-UHFFFAOYSA-N- Molecular formula
- C9H10ClN
- Average molar mass
- 167.63 g/mol
- Monoisotopic mass
- 167.050177
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)azetidine
- IUPAC
- 3-(4-chlorophenyl)azetidine
- English name
- 3-(4-Chlorophenyl)azetidine
- Molecular formula
- C9H10ClN
- Molecular weight
- 167.64
Names & synonyms
3-(4-chlorophenyl)azetidine7215-02-3MFCD01665297AZETIDINE, 3-(p-CHLOROPHENYL)-3-(p-Chlorophenyl)azetidineL 2406BRN 1424809SCHEMBL2299312SCHEMBL6779675DTXSID90222471UPXXQMBUBSHBEZ-UHFFFAOYSA-NGS0562
Show more names
Azetidine, 3-(4-chlorophenyl)-
AKOS017398274AT15505SB52077SDCCGSBI-0662966.P001SY267181WS-01134DB-098899EN300-247045
Database identifiers
- CAS
7215-02-3- PubChem CID
- 23620
- DTXSID
DTXSID90222471- Nikkaji
- J84.672D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 90 · 90-100 °C(Press: 1 Torr)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 10.47 · 10.47±0.40(Predicted)
Chemistry & industry
Applications
UsesA 3-phenylazetidine derivative that showed slight sympathomimetic effects in animals during pharmacology studies.
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Related reactions
2 records
Compound notes
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