Basic information
- CAS
37672-97-2- Standard SMILES
COc1ccc(C(C#N)N(C)C)cc1OC- InChIKey
WXKMESAFVQHWPP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-
- IUPAC
- 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile
Names & synonyms
37672-97-2ACETONITRILE, (3,4-DIMETHOXYPHENYL)(DIMETHYLAMINO)-RefChem:10758802-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile(3,4-Dimethoxyphenyl)dimethylaminoacetonitrile2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrileNSC 101333BRN 2650544NSC101333DTXSID401384287AKOS002292502AKOS016053580
Show more names
NSC-101333ST452303212-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanenitrile
Database identifiers
- CAS
37672-97-2- PubChem CID
- 37802
- DTXSID
DTXSID401384287
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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