Introduction：Basic information about CAS 78718-52-2|benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate |
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| CAS Number | 78718-52-2 | Molecular Weight | 409.47800 |
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| Density | 1.26g/cm3 | Boiling Point | 582.7ºC at 760 mmHg |
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| Molecular Formula | C23H27N3O4 | Melting Point | / |
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| MSDS | / | Flash Point | 306.2ºC |
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Names
| Name | benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.26g/cm3 |
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| Boiling Point | 582.7ºC at 760 mmHg |
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| Molecular Formula | C23H27N3O4 |
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| Molecular Weight | 409.47800 |
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| Flash Point | 306.2ºC |
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| Exact Mass | 409.20000 |
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| PSA | 114.50000 |
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| LogP | 4.42940 |
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| Index of Refraction | 1.612 |
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| InChIKey | IAXUQWSLRKIRFR-UHFFFAOYSA-N |
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| SMILES | NC(N)=NCC1CCC(C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG2800660
- CHEMICAL NAME :
- Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)ca rbonyl)oxy)-, phenylmethyl ester, trans-
- CAS REGISTRY NUMBER :
- 78718-52-2
- LAST UPDATED :
- 199303
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H27-N3-O4
- MOLECULAR WEIGHT :
- 409.53
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8010 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-90017
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-90017
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Safety Information
Customs
| HS Code | 2925290090 |
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| Summary | 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Benexato [Spanish] |
| Benexato |
| Benexatum [Latin] |
| benzyl 2-{[(4-{[(diaminomethylidene)amino]methyl}cyclohexyl)carbonyl]oxy}benzoate |
| Benzyl 2-((trans-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate |
| Benexate |
| Benexate (INN) |
| Benzoic acid,2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)oxy)-,phenylmethyl ester,trans |
