1-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride

HCID 39774

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Basic information

CAS: 50765-71-4
Standard SMILES: CC(C)=CCC(C#N)(CC[NH+](C)C)c1cccc2ccccc12.[Cl-]
InChIKey: HQZMBBVUXLTMFX-UHFFFAOYSA-N
Molecular formula: C21H27ClN2
Average molar mass: 342.9 g/mol
Monoisotopic mass: 342.1862766

Names & identifiers

Preferred name: 1-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
IUPAC: (3-cyano-6-methyl-3-naphthalen-1-ylhept-5-enyl)-dimethylazanium chloride

Names & synonyms

1-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloridealpha-(2-Dimethylaminoethyl)-alpha-prenyl-1-naphthylacetonitrile hydrochloride50765-71-4RefChem:232230

Database identifiers

CAS: 50765-71-4
PubChem CID: 39774

Properties

Computed structural properties

Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 452

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