Basic information
- CAS
1440535-80-7- Standard SMILES
CCNC(C#N)c1ccc(Cl)cc1.Cl- InChIKey
JVQMGUPHOBVVPM-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2N2
- Average molar mass
- 231.12 g/mol
- Monoisotopic mass
- 230.0377538
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-(ethylamino)acetonitrile hydrochloride
- IUPAC
- 2-(4-chlorophenyl)-2-(ethylamino)acetonitrile;hydrochloride
Names & synonyms
2-(4-chlorophenyl)-2-(ethylamino)acetonitrile hydrochloride1440535-80-72-(4-chlorophenyl)-2-(ethylamino)acetonitrile;hydrochloride2-(4-Chlorophenyl)-2-(ethylamino)-acetonitrile hydrochloridestarbld0003947MFCD24386221AKOS030245831CS-10104
Database identifiers
- CAS
1440535-80-7- PubChem CID
- 91664045
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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