Basic information
- CAS
50765-78-1- Standard SMILES
CCC(C#N)(CC[NH+](CC=C(C)C)CC=C(C)C)c1cccc2ccccc12.[Cl-]- InChIKey
IKXBIIHSAINQQA-UHFFFAOYSA-N- Molecular formula
- C26H35ClN2
- Average molar mass
- 411 g/mol
- Monoisotopic mass
- 410.2488768
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-ethyl-, hydrochloride
- IUPAC
- (3-cyano-3-naphthalen-1-ylpentyl)-bis(3-methylbut-2-enyl)azanium chloride
Names & synonyms
alpha-(2-Diprenylaminoethyl)-alpha-ethyl-1-naphthylacetonitrile hydrochloride1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-ethyl-, hydrochloride50765-78-1RefChem:232226
Database identifiers
- CAS
50765-78-1- PubChem CID
- 39782
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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