Basic information
- CAS
39478-89-2- Standard SMILES
CNC1CCc2c(ccc(O)c2O)C1- InChIKey
BHDFPNRSDABMPW-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
beta2 adrenergic agonist; coronary vasodilator in vivo; cyclic dopamine analog; synonym M-8 refers to HBr; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5,6-Dihydroxy-2-methylaminotetralin
- IUPAC
- 6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
- English name
- 5,6-dihydroxy-2-methylaminotetralin
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
5,6-Dihydroxy-2-methylaminotetralin39478-89-25,6-Dihydroxy-2-(methyl)aminotetralin045Q4E2K142-(Methylamino)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene1,2-Naphthalenediol, 5,6,7,8-tetrahydro-6-(methylamino)-RefChem:9129615,6-dihydroxy-2-(methylamino)tetralin6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diolchf-1024 free baseM-8UNII-045Q4E2K14
Show more names
CHF-1024
2-N-Methylamino-5,6-dihydrotetralinSCHEMBL3829971DTXSID30960108AKOS0407499752-N-METHYLAMINO-5,6-DIHYDROXYTETRALINL019298Q27247623
Database identifiers
- CAS
39478-89-2- PubChem CID
- 38005
- DTXSID
DTXSID30960108- UNII
- 045Q4E2K14
- Nikkaji
- J389.068F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 367.8 · 367.8±42.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.20(Predicted)
- FDA UNII
- 45 Q4E2K14 · 045Q4E2K14
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
2 records
Compound notes
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