Introduction：Basic information about CAS 418805-51-3|3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
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| CAS Number | 418805-51-3 | Molecular Weight | 247.29300 |
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| Density | 1.61g/cm3 | Boiling Point | 455ºC at 760 mmHg |
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| Molecular Formula | C13H17N3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 229ºC |
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Names
| Name | 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
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Chemical & Physical Properties
| Density | 1.61g/cm3 |
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| Boiling Point | 455ºC at 760 mmHg |
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| Molecular Formula | C13H17N3O2 |
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| Molecular Weight | 247.29300 |
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| Flash Point | 229ºC |
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| Exact Mass | 247.13200 |
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| PSA | 68.01000 |
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| LogP | 1.65820 |
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| Index of Refraction | 1.792 |
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| InChIKey | NTUMBFHGMUZUBG-UHFFFAOYSA-N |
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| SMILES | O=C(O)C12CC3CC(C1)CC(n1cncn1)(C3)C2 |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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