Basic information
- CAS
50765-79-2- Standard SMILES
CC(C)=CC[NH+](CC=C(C)C)CCC(C#N)(c1cccc2ccccc12)C(C)C.[Cl-]- InChIKey
OXLHOZMVPXHJLA-UHFFFAOYSA-N- Molecular formula
- C27H37ClN2
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2645269
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochloride
- IUPAC
- (3-cyano-4-methyl-3-naphthalen-1-ylpentyl)-bis(3-methylbut-2-enyl)azanium chloride
Names & synonyms
50765-79-2alpha-Isopropyl-alpha-(2-diprenylaminoethyl)-1-naphthylacetonitrile hydrochloride1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochlorideRefChem:232227
Database identifiers
- CAS
50765-79-2- PubChem CID
- 39784
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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