Basic information
- CAS
1440535-58-9- Standard SMILES
Cl.N#CC(NCCc1ccccc1)c1ccc(Cl)c(Cl)c1- InChIKey
NIRQAQOAYVOCGB-UHFFFAOYSA-N- Molecular formula
- C16H15Cl3N2
- Average molar mass
- 341.7 g/mol
- Monoisotopic mass
- 340.030082
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-2-(phenethylamino)acetonitrile hydrochloride
- IUPAC
- 2-(3,4-dichlorophenyl)-2-(2-phenylethylamino)acetonitrile;hydrochloride
Names & synonyms
1440535-58-92-(3,4-dichlorophenyl)-2-(phenethylamino)acetonitrile hydrochloride2-(3,4-dichlorophenyl)-2-(2-phenylethylamino)acetonitrile;hydrochloride2-(3,4-dichlorophenyl)-2-[(2-phenylethyl)amino]acetonitrile hydrochloride2-(3,4-Dichlorophenyl)-2-(phenethylamino)-acetonitrile hydrochlorideC16H15Cl3N2DTXSID601378610MFCD24386237AKOS030245813CS-10122Benzeneacetonitrile, 3,4-dichloro-I+/--[(2-phenylethyl)amino]-, hydrochloride (1:1)
Database identifiers
- CAS
1440535-58-9- PubChem CID
- 91664086
- DTXSID
DTXSID601378610
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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