Basic information
- CAS
50765-83-8- Standard SMILES
CC(C)=CC[NH+](CC=C(C)C)CCC(C#N)(Cc1cccc2ccccc12)C(C)C.[Cl-]- InChIKey
PXUVKPNONSFCNO-UHFFFAOYSA-N- Molecular formula
- C28H39ClN2
- Average molar mass
- 439.1 g/mol
- Monoisotopic mass
- 438.2801769
Names & identifiers
- Preferred name
- 1-Naphthalenepropionitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochloride
- IUPAC
- [3-cyano-4-methyl-3-(naphthalen-1-ylmethyl)pentyl]-bis(3-methylbut-2-enyl)azanium chloride
Names & synonyms
50765-83-8alpha-(2-Diprenylaminoethyl)-alpha-isopropyl-1-naphthylpropionitrile hydrochloride1-Naphthalenepropionitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochlorideRefChem:232316
Database identifiers
- CAS
50765-83-8- PubChem CID
- 39787
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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