Basic information
- CAS
1440535-37-4- Standard SMILES
CNC(C#N)c1ccc(Cl)cc1.Cl- InChIKey
ASMIOCPQSCLQBP-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2N2
- Average molar mass
- 217.09 g/mol
- Monoisotopic mass
- 216.0221037
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-(methylamino)acetonitrile hydrochloride
- IUPAC
- 2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
Names & synonyms
1440535-37-42-(4-chlorophenyl)-2-(methylamino)acetonitrile hydrochloride2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride2-(4-Chlorophenyl)-2-(methylamino)-acetonitrile hydrochlorideMFCD24386212AKOS030245800CS-10094
Database identifiers
- CAS
1440535-37-4- PubChem CID
- 91664037
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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