1-Naphthaleneacetonitrile, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-
Basic information
- CAS
10404-41-8- Standard SMILES
CC(C)C(C#N)(CCCCN(C)C)c1cccc2ccccc12- InChIKey
UQKJYYKSAYWRQC-UHFFFAOYSA-N- Molecular formula
- C21H28N2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.2252489
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-
- IUPAC
- 6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanenitrile
Names & synonyms
10404-41-81-NAPHTHALENEACETONITRILE, alpha-(4-(DIMETHYLAMINO)BUTYL)-alpha-ISOPROPYL-RefChem:1055960alpha-Isopropyl-alpha-(4-dimethylaminobutyl)-1-naphthylacetonitrileBRN 2878510alpha-(4-(Dimethylamino)butyl)-alpha-isopropyl-1-naphthaleneacetonitrileDTXSID109087656-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)hexanenitrile
Database identifiers
- CAS
10404-41-8- PubChem CID
- 25241
- DTXSID
DTXSID10908765- Nikkaji
- J85.510C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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