Basic information
- CAS
2809-46-3- Standard SMILES
CCC(C)C(C#N)(CCN(C)C)c1ccccc1- InChIKey
MVCMGQACMGHRSM-UHFFFAOYSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.19394877
Names & identifiers
- Preferred name
- Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-
- IUPAC
- 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile
- English name
- 2-[2-(Dimethylamino)ethyl]-3-methyl-2-phenylvaleronitrile
- Molecular formula
- C16H24N2
- Molecular weight
- 244.38
Names & synonyms
BRN 28093182809-46-32-(2-(Dimethylamino)ethyl)-3-methyl-2-phenylvaleronitrileValeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-RefChem:3883012-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrileDTXSID109508201-dimethylamino-3-cyano-3-phenyl-4-methyl-hexaneα-sek.Butyl-α--phenylacetonitril2-[2-(Dimethylamino)ethyl]-3-methyl-2-phenylvaleronitrileBenzeneacetonitrile, α-[2-(dimethylamino)ethyl]-α-(1-methylpropyl)-
Database identifiers
- CAS
2809-46-3- PubChem CID
- 200838
- DTXSID
DTXSID10950820- Nikkaji
- J49.630H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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