1-Propanamine,3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-, hydrochloride (1:1)
- 中文别名：盐酸美利蒽
- 中文释义：盐酸美利蒽;盐酸美利曲辛;3-[10,10-二甲基-9(10H)-蒽亚基]-N,N-二甲基丙胺盐酸盐
- 英文别名：3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine,hydrochloride;
EINECS 234-150-5;
Thymeol hydrochloride;
U-24,973A;
N 7001;
MELITRACEN HYDROCHLORIDE;
Melitracen HCl;
Melitracene hydrochloride
- CAS No.：10563-70-9
- 分子式：
C21H25N.ClH
- 分子量：327.90
- 精确分子量：327.17500
- PSA：3.24000
- InChI：InChI=1/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
- 分子结构式：
物化性质
- 外观与性状：
- 结晶固体
- 密度：
- 1.046 g/cm3
- 熔点：
- 245-248ºC
- 沸点：
- 399.1ºC at 760 mmHg
- 闪点：
- 174.4ºC
- 折射率：
- 1.607
- 蒸汽压：
- 1.4E-06mmHg at 25°C
安全信息
- 外观与性状：
- 结晶固体
- 密度：
- 1.046 g/cm3
- 熔点：
- 245-248ºC
- 沸点：
- 399.1ºC at 760 mmHg
- 闪点：
- 174.4ºC
- 折射率：
- 1.607
- 蒸汽压：
- 1.4E-06mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CB0875000
- CHEMICAL NAME :
- delta(sup 9(10H)),gamma-Anthracenepropylamine, N,N,10,10-tetramethyl-, hydrochloride
- CAS REGISTRY NUMBER :
- 10563-70-9
- LAST UPDATED :
- 199604
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C21-H25-N.Cl-H
- MOLECULAR WEIGHT :
- 327.93
- WISWESSER LINE NOTATION :
- L C666 BY IHJ BU3N1&1 I1 I1 &GH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 170 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,80,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 96 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,80,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,390,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,80,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 131 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,80,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 275 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,390,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 52 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 24,121,1966
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积:3.2
7.重原子数量:23
8.表面电荷:0
9.复杂度:378
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
