Basic information
- CAS
73663-77-1- Standard SMILES
Cc1ccc(C(C#N)c2ccc([NH3+])cc2)cc1.[Cl-]- InChIKey
UXWNAZIHSFDGKA-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.0923762
Names & identifiers
- Preferred name
- (4-(Cyano(p-tolyl)methyl)phenyl)ammonium chloride
- IUPAC
- [4-[cyano-(4-methylphenyl)methyl]phenyl]azanium chloride
Names & synonyms
(4-(Cyano(p-tolyl)methyl)phenyl)ammonium chlorideBenzeneacetonitrile, 4-amino-alpha-(4-methylphenyl)-, monohydrochloride[4-[cyano(p-tolyl)methyl]phenyl]ammonium chlorideRefChem:402191Benzeneacetonitrile, 4-amino-alpha-(4-methylphenyl)-, monohydrochloride (9CI)277-564-1ACETONITRILE, (p-AMINOPHENYL)(p-TOLYL)-, HYDROCHLORIDENSC 102524EINECS 277-564-1alpha-(4-Aminophenyl)-4-methylbenzyl cyanideNS00058941
Database identifiers
- CAS
73663-77-1- PubChem CID
- 51981
- EC Number
- 277-564-1
Properties
Computed structural properties
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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