Basic information
- CAS
5424-70-4- Standard SMILES
CCN(CC)CCC(C)(C#N)c1cccc(OC)c1OC- InChIKey
IANZFSNRGPYBKQ-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
- IUPAC
- 4-(diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
Names & synonyms
NSC122595424-70-44-(diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrileDTXSID50279320NSC-12259
Database identifiers
- CAS
5424-70-4- PubChem CID
- 224035
- DTXSID
DTXSID50279320
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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