Basic information
- CAS
72511-87-6- Standard SMILES
Cl.Oc1cccc2c1CNCC2O- InChIKey
NKKSKLKVVRVUBQ-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroisoquinoline-4,8-diol--hydrogen chloride (1/1)
- IUPAC
- 1,2,3,4-tetrahydroisoquinoline-4,8-diol;hydrochloride
- English name
- 1,2,3,4-Tetrahydro-4,8-isoquinolinediol Hydrochloride
- Molecular formula
- C9H12ClNO2
- Molecular weight
- 201.65008
Names & synonyms
72511-87-6DTXSID305016111,2,3,4-Tetrahydroisoquinoline-4,8-diol--hydrogen chloride (1/1)RefChem:214502DTXCID204524211,2,3,4-Tetrahydro-4,8-isoquinolinediol Hydrochloride1,2,3,4-tetrahydroisoquinoline-4,8-diol;hydrochloridePhenylephrine Impurity 45 HClCHEMBL50715571,2,3,4-TETRAHYDROISOQUINOLINE-4,8-DIOL HYDROCHLORIDE1,2,3,4-Tetrahydro-4,8-isoquinolinediol Hydrochloride; 4,8-Isoquinolinediol, 1,2,3,4-tetrahydro-, hydrochloride (1:1); 4,8-Isoquinolinediol, 1,2,3,4-tetrahydro-, hydrochloride (9CI); 1,2,3,4-Tetrahydro-4,8-isoquinolinediol hydrochloride
Database identifiers
- CAS
72511-87-6- PubChem CID
- 12534530
- DTXSID
DTXSID30501611- ChEMBL
CHEMBL5071557
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 229 · 229-232 °C (decomp)
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydro-4,8-isoquinolinediol Hydrochloride is used in the synthesis of tetrahydroisoquinoline derivatives.
Suppliers7 total
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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