Basic information
- CAS
16118-22-2- Standard SMILES
N=Cc1ccccc1- InChIKey
AFDMODCXODAXLC-UHFFFAOYSA-N- Molecular formula
- C7H7N
- Average molar mass
- 105.14 g/mol
- Monoisotopic mass
- 105.05784922
Names & identifiers
- Preferred name
- Phenylmethanimine
- IUPAC
- phenylmethanimine
- English name
- N-Benzylideneamine
- Molecular formula
- C7H7N
- Molecular weight
- 105.14
Names & synonyms
Phenylmethanimine16118-22-2DTXSID30330241RefChem:1095046DTXCID40281336Benzenemethaniminen-benzylideneaminebenzaldiminebenzyliminebenzylidene-aminebenzaldehyde imine1-Phenylmethanimine
Show more names
Iminophenylmethane
Phenylmethanimine #C6H5CH=NHSCHEMBL113275SCHEMBL497857SCHEMBL697703SCHEMBL1161988SCHEMBL4396787SCHEMBL4893590
Database identifiers
- CAS
16118-22-2- PubChem CID
- 428166
- DTXSID
DTXSID30330241- Nikkaji
- J29.985E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Boiling point
- 152 · 152.0±23.0 °C(Predicted)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Related reactions
4 records
Compound notes
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