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

HCID 39778

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Basic information

CAS: 50765-73-6
Standard SMILES: CC[NH+](CC)CCC(C#N)(CC=C(C)C)c1cccc2ccccc12.[Cl-]
InChIKey: FGRDQLLXKJFDOQ-UHFFFAOYSA-N
Molecular formula: C23H31ClN2
Average molar mass: 371 g/mol
Monoisotopic mass: 370.2175767

Names & identifiers

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

Names & synonyms

1-Naphthaleneacetonitrile, alpha-(2-diethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride50765-73-6alpha-(2-Diethylaminoethyl)-alpha-prenyl-1-naphthylacetonitrile hydrochlorideRefChem:232229

Database identifiers

CAS: 50765-73-6
PubChem CID: 39778

Properties

Computed structural properties

Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 478

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