Basic information
- CAS
50765-72-5- Standard SMILES
CC[NH+](C)CCC(C#N)(CC=C(C)C)c1cccc2ccccc12.[Cl-]- InChIKey
RUEYJJXJQYFCCU-UHFFFAOYSA-N- Molecular formula
- C22H29ClN2
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.2019266
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-ethylmethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
- IUPAC
- (3-cyano-6-methyl-3-naphthalen-1-ylhept-5-enyl)-ethyl-methylazanium chloride
Names & synonyms
alpha-(2-Ethylmethylaminoethyl)-alpha-prenyl-1-naphthylacetonitrile hydrochloride1-Naphthaleneacetonitrile, alpha-(2-ethylmethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride50765-72-5RefChem:232231
Database identifiers
- CAS
50765-72-5- PubChem CID
- 39776
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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