Introduction：Basic information about CAS 63937-57-5|1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]- |
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| CAS Number | 63937-57-5 | Molecular Weight | 356.416 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 496.2±45.0 °C at 760 mmHg |
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| Molecular Formula | C20H24N2O4 | Melting Point | 91-92ºC |
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| MSDS | / | Flash Point | 253.9±28.7 °C |
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Names
| Name | 6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 496.2±45.0 °C at 760 mmHg |
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| Melting Point | 91-92ºC |
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| Molecular Formula | C20H24N2O4 |
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| Molecular Weight | 356.416 |
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| Flash Point | 253.9±28.7 °C |
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| Exact Mass | 356.173615 |
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| PSA | 67.52000 |
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| LogP | 4.08 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.571 |
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| InChIKey | AWDKLHCXDUACLM-UHFFFAOYSA-N |
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| SMILES | COc1cc2c(cc1OC)C(CCc1ccc([N+](=O)[O-])cc1)N(C)CC2 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX5035000
- CHEMICAL NAME :
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrop henethyl)-
- CAS REGISTRY NUMBER :
- 63937-57-5
- BEILSTEIN REFERENCE NO. :
- 1556086
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C20-H24-N2-O4
- MOLECULAR WEIGHT :
- 356.46
- WISWESSER LINE NOTATION :
- T66 CNT&J B2R DNW& C1 HO1 IO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 5,290,1965
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Safety Information
Customs
| HS Code | 2933499090 |
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| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4'-Nitromethopholine |
| Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]- |
| 6,7-Dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline |
| UNII:86JU2L138Q |
| 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]- |
