Basic information
- CAS
14780-15-5- Standard SMILES
CC(C)C(C#N)(CCN(C)C)c1ccc(Cl)cc1- InChIKey
GDQFGXLOZMECLM-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2
- Average molar mass
- 264.79 g/mol
- Monoisotopic mass
- 264.1393264
Names & identifiers
- Preferred name
- Butyronitrile, 2-(p-chlorophenyl)-4-(dimethylamino)-2-isopropyl-
- IUPAC
- 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Names & synonyms
BRN 21241002-(p-Chlorophenyl)-4-(dimethylamino)-2-isopropylbutyronitrile14780-15-5BUTYRONITRILE, 2-(p-CHLOROPHENYL)-4-(DIMETHYLAMINO)-2-ISOPROPYL-RefChem:331345DTXSID909332172-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Database identifiers
- CAS
14780-15-5- PubChem CID
- 26895
- DTXSID
DTXSID90933217
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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