(5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Basic information
- CAS
7634-86-8- Standard SMILES
COc1ccc2c(c1OC)CCNC2CC#N- InChIKey
KSAYFZYVVFNGIK-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- (5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
- IUPAC
- 2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Names & synonyms
7634-86-82-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrileNSC150985DTXSID50302440NSC-150985
Database identifiers
- CAS
7634-86-8- PubChem CID
- 289281
- DTXSID
DTXSID50302440
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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