5,6-Dimethoxy-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
87664-83-3- Standard SMILES
COc1cc([N+](=O)[O-])c2c(c1OC)CCN(C)C2- InChIKey
DDNMUONMFWRVDI-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 5,6-dimethoxy-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
Names & synonyms
87664-83-35,6-Dimethoxy-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinolineDTXSID20522370
Database identifiers
- CAS
87664-83-3- PubChem CID
- 13152151
- DTXSID
DTXSID20522370
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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