Basic information
- CAS
50765-84-9- Standard SMILES
CC(C)=CCC(C#N)(CC[NH+](C)C)Cc1cccc2ccccc12.[Cl-]- InChIKey
QIGRLMYLFKLTOE-UHFFFAOYSA-N- Molecular formula
- C22H29ClN2
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.2019266
Names & identifiers
- Preferred name
- 1-Naphthalenepropionitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
- IUPAC
- [3-cyano-6-methyl-3-(naphthalen-1-ylmethyl)hept-5-enyl]-dimethylazanium chloride
Names & synonyms
alpha-(2-Dimethylaminoethyl)-alpha-prenyl-1-naphthylpropionitrile hydrochloride50765-84-91-Naphthalenepropionitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochlorideRefChem:232317
Database identifiers
- CAS
50765-84-9- PubChem CID
- 39789
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
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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