4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine,dichloride,trihydrate
名称
[ CAS 号 ]:
63887-47-8
[ 英文名 ]:
4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine,dichloride,trihydrate
物理化学性质
[ 分子式 ]:
C34H64Cl2N4O3
[ 分子量 ]:
647.80300
[ 精确质量 ]:
646.43600
[ PSA ]:
40.19000
[ LogP ]:
0.21130
毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TN5985000
- CHEMICAL NAME :
- Piperidinium, 1-(5-(4-methylpiperidino)-2,4-pentadienylidene)-4-met hyl-, chloride, sesquihydrate
- CAS REGISTRY NUMBER :
- 63887-47-8
- LAST UPDATED :
- 199107
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C17-H29-N2.Cl.3/2H2-O
- MOLECULAR WEIGHT :
- 323.96
- WISWESSER LINE NOTATION :
- T6NTJ D1& A1U2U2U- AT6KTJ D1 &G &QH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 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: 12,806,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 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: 12,806,1969
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相关化合物
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