Introduction：Basic information about CAS 7000-61-5|Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]- |
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| CAS Number | 7000-61-5 | Molecular Weight | 329.31100 |
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| Density | 1.527g/cm3 | Boiling Point | 708.4ºC at 760mmHg |
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| Molecular Formula | C15H15N5O4 | Melting Point | / |
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| MSDS | / | Flash Point | 382.2ºC |
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Names
| Name | 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.527g/cm3 |
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| Boiling Point | 708.4ºC at 760mmHg |
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| Molecular Formula | C15H15N5O4 |
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| Molecular Weight | 329.31100 |
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| Flash Point | 382.2ºC |
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| Exact Mass | 329.11200 |
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| PSA | 122.01000 |
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| LogP | 0.34360 |
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| Index of Refraction | 1.709 |
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| InChIKey | ADUXQWIKSOSSDH-UHFFFAOYSA-N |
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| SMILES | Cn1c(=O)c2[nH]c(CNc3ccc(C(=O)O)cc3)nc2n(C)c1=O |
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Synonyms
| 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-amino]-benzoic acid |
