6-(Benzyloxy)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
98809-69-9- Standard SMILES
COc1cc2c(cc1OCc1ccccc1)CCNC2- InChIKey
QRCIZNPDVSGGGB-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- 6-(Benzyloxy)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
- English name
- Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-6-(phenylmethoxy)-
- Molecular formula
- C17H19NO2
- Molecular weight
- 269.34
Names & synonyms
6-(benzyloxy)-7-methoxy-1,2,3,4-tetrahydroisoquinoline98809-69-9DTXSID90326867RefChem:306725DTXCID30277980NSC619868SCHEMBL3051568QRCIZNPDVSGGGB-UHFFFAOYSA-NNSC-6198687-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-7-methoxy-6-(phenylmethoxy)-
Database identifiers
- CAS
98809-69-9- PubChem CID
- 359186
- DTXSID
DTXSID90326867- Nikkaji
- J306.156F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Boiling point
- 426 · 426.0±45.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 9 · 9.00±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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