Basic information
- Standard SMILES
O=C=NCc1ccc(N2CCCCCC2)cc1- InChIKey
YGPJCRFSTSUAOU-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Isocyanatomethyl)phenyl]azepane
- IUPAC
- 1-[4-(isocyanatomethyl)phenyl]azepane
Names & synonyms
SCHEMBL4023737YGPJCRFSTSUAOU-UHFFFAOYSA-N1-[4-(isocyanatomethyl)phenyl]azepane
Database identifiers
- PubChem CID
- 22337702
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
4 records
Compound notes
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