Basic information
- CAS
135743-24-7- Standard SMILES
CN(C)C1CCc2c(ccc(O)c2O)C1- InChIKey
LSHRDKPBUUXBAF-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Overview
6-(dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol is a member of tetralins.
Names & identifiers
- Preferred name
- 5,6-Dihydroxy-2-dimethylaminotetralin
- IUPAC
- 6-(dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
- English name
- 1,2-Naphthalenediol,6-(dimethylamino)-5,6,7,8-tetrahydro-(9CI)
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
39478-90-55,6-Dihydroxy-2-dimethylaminotetralin6-(Dimethylamino)-5,6,7,8-tetrahydro-1,2-naphthalenediolRefChem:1011736-(dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diolCHEMBL146419m 7 (pharmaceutical)1,2-Naphthalenediol,6-(dimethylamino)-5,6,7,8-tetrahydro-(9CI)N,N-Dimethyl-5,6-dihydroxy-2-aminotetralin2-N,N-Dimethylamino-5,6-dihydroxytetralinM-7SCHEMBL6286848
Show more names
M-7【pharmaceutical】1,2-Naphthalenediol, 6-(dimethylamino)-5,6,7,8-tetrahydro-
DTXSID40929140CHEBI:1254432-(Dimethylamino)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthaleneBDBM50225290N,N-Dimethyl-5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthaleneAKOS0407499745,6-dihydroxy-2-dimethylamino tetralinBRD-A77864279-001-01-6
Database identifiers
- CAS
135743-24-7、39478-90-5- PubChem CID
- 37033
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 363.7 · 363.7±42.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 10.2 · 10.20±0.40(Predicted)
Chemistry & industry
Suppliers6 total
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海沪震实业有限公司021-60345367 13916550749 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海联迈生物工程有限公司021-67680335 13052188602 · [email protected]
上海雅吉生物科技有限公司021-34661275 15301693058 · [email protected]
Additional notes
DefinitionChEBI: 6-(dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol is a member of tetralins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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