1-phenyl-1H-azepine
Completing data — refresh the page later to see the latest
Basic information
- CAS
32446-13-2- Standard SMILES
C1=CC=CN(c2ccccc2)C=C1- InChIKey
LGQKWCHXQUKUMT-UHFFFAOYSA-N- Molecular formula
- C12H11N
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.08914936
Names & identifiers
- Preferred name
- 1-phenyl-1H-azepine
- IUPAC
- 1-phenylazepine
- English name
- 1-Phenyl-1H-azepine
- Molecular formula
- C12H11N
- Molecular weight
- 169.22
Names & synonyms
1-phenyl-1H-azepine32446-13-2DTXSID30302640RefChem:233049DTXCID802537741-phenylazepineNSC152355SCHEMBL7174001AKOS015907455NSC-152355DB-2597861H-Azepine, 1-phenyl-
Database identifiers
- CAS
32446-13-2- PubChem CID
- 289897
- DTXSID
DTXSID30302640- Nikkaji
- J88.797H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…