Introduction：Basic information about CAS 50528-97-7|(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea |
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| CAS Number | 50528-97-7 | Molecular Weight | 245.32000 |
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| Density | 1.136g/cm3 | Boiling Point | / |
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| Molecular Formula | C14H19N3O | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | (3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.136g/cm3 |
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| Molecular Formula | C14H19N3O |
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| Molecular Weight | 245.32000 |
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| Exact Mass | 245.15300 |
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| PSA | 44.70000 |
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| LogP | 2.97030 |
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| Index of Refraction | 1.585 |
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| InChIKey | PAXRPWSXCPTPCA-QINSGFPZSA-N |
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| SMILES | Cc1cccc(C)c1NC(=O)N=C1CCCN1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- YT8850000
- CHEMICAL NAME :
- Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)-
- CAS REGISTRY NUMBER :
- 50528-97-7
- BEILSTEIN REFERENCE NO. :
- 0406212
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C14-H19-N3-O
- MOLECULAR WEIGHT :
- 245.36
- WISWESSER LINE NOTATION :
- T5NYTJ A1 BUNVMR B1 F1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 830 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 128 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,1044,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 110 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
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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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Synonyms
| Urea,N-(2,6-dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene) |
| Urea,1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl) |
| N-(2,6-Dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)urea |
| Xilobamum [INN-Latin] |
| 1-(2,6-dimethyl-phenyl)-3-(1-methyl-pyrrolidin-2-ylidene)-urea |
| McN 3113 |
| 3-(1-Methyl-2-pyrrolidinyliden)-1-(2,6-dimethylphenyl)urea |
| 1-(1-Methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)urea |
| XILOBAM |
