Basic information
- CAS
73663-76-0- Standard SMILES
COc1ccc(C(C#N)c2ccc([NH3+])cc2)cc1.[Cl-]- InChIKey
GVGHUQLFOXYPJO-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O
- Average molar mass
- 274.74 g/mol
- Monoisotopic mass
- 274.0872908
Overview
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Names & identifiers
- Preferred name
- (p-Aminophenyl)(p-anisyl)acetonitrile hydrochloride
- IUPAC
- [4-[cyano-(4-methoxyphenyl)methyl]phenyl]azanium chloride
Names & synonyms
EINECS 277-563-6(p-Aminophenyl)(p-anisyl)acetonitrile hydrochloridealpha-(4-Aminophenyl)-4-methoxybenzyl cyanide hydrochlorideACETONITRILE, (p-AMINOPHENYL)(p-METHOXYPHENYL)-, HYDROCHLORIDE(4-(Cyano(4-methoxyphenyl)methyl)phenyl)ammonium chloride
Database identifiers
- CAS
73663-76-0- PubChem CID
- 51979
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
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Compound notes
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