5-Amino-7-methoxy-1,2,3,4-tetrahydroisoquinoline-4,6-diol
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Basic information
- CAS
681477-04-3- Standard SMILES
COc1cc2c(c(N)c1O)C(O)CNC2- InChIKey
FUVNRBOZKPCLDV-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
Names & identifiers
- Preferred name
- 5-Amino-7-methoxy-1,2,3,4-tetrahydroisoquinoline-4,6-diol
- IUPAC
- 5-amino-7-methoxy-1,2,3,4-tetrahydroisoquinoline-4,6-diol
- English name
- 4,6-Isoquinolinediol, 5-amino-1,2,3,4-tetrahydro-7-methoxy- (9CI)
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
5-amino-7-methoxy-1,2,3,4-tetrahydroisoquinoline-4,6-diol681477-04-3AKOS004907232DB-2722684,6-ISOQUINOLINEDIOL, 5-AMINO-1,2,3,4-TETRAHYDRO-7-METHOXY-4,6-Isoquinolinediol, 5-amino-1,2,3,4-tetrahydro-7-methoxy- (9CI)
Database identifiers
- CAS
681477-04-3
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 429.3 · 429.3±45.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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