Basic information
- CAS
1440535-67-0- Standard SMILES
CCN(CC)C(C#N)c1ccc(Cl)cc1.Cl- InChIKey
FKZCFEMTXDPDON-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2
- Average molar mass
- 259.17 g/mol
- Monoisotopic mass
- 258.0690539
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-(diethylamino)acetonitrile hydrochloride
- IUPAC
- 2-(4-chlorophenyl)-2-(diethylamino)acetonitrile;hydrochloride
Names & synonyms
2-(4-chlorophenyl)-2-(diethylamino)acetonitrile hydrochloride1440535-67-02-(4-chlorophenyl)-2-(diethylamino)acetonitrile;hydrochloride2-(4-Chlorophenyl)-2-(diethylamino)-acetonitrile hydrochlorideMFCD24386226AKOS030245836CS-10109
Database identifiers
- CAS
1440535-67-0- PubChem CID
- 91664050
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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