Ammonium, (alpha-cyanobenzyl)diethylmethyl-, iodide

HCID 46935

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Basic information

CAS: 64049-87-2
Standard SMILES: CC[N+](C)(CC)C(C#N)c1ccccc1.[I-]
InChIKey: XIJPUXDDUHPWJG-UHFFFAOYSA-M
Molecular formula: C13H19IN2
Average molar mass: 330.21 g/mol
Monoisotopic mass: 330.0593

Names & identifiers

Preferred name: Ammonium, (alpha-cyanobenzyl)diethylmethyl-, iodide
IUPAC: [cyano(phenyl)methyl]-diethyl-methylazanium iodide

Names & synonyms

Methyl-(phenylcyanomethyl)-diethylammonium iodide64049-87-2AMMONIUM, (alpha-CYANOBENZYL)DIETHYLMETHYL-, IODIDERefChem:318972DTXSID30982360N-[Cyano(phenyl)methyl]-N-ethyl-N-methylethanaminium iodide

Database identifiers

CAS: 64049-87-2
PubChem CID: 46935
DTXSID: DTXSID30982360

Properties

Computed structural properties

Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 228

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