118-68-3

118-68-3结构式
118-68-3结构式
  • 常用中文名:etryptamine acetate
  • 常用英文名:etryptamine acetate
  • CAS号:118-68-3
  • 分子式:C14H20N2O2
  • 分子量:248.32100
  • 发布时间:2017-02-21 23:52:46
  • 更新时间:2024-01-07 23:40:52

化源商城直购

英文名 etryptamine acetate
英文别名 1-Aethyl-2-indol-3-yl-aethylamin,Acetat
1-ethyl-2-indol-3-yl-ethylamine,acetate
Atryptamin acetate
MONASE
EINECS 204-268-1
沸点 356.2ºC at 760mmHg
分子式 C14H20N2O2
分子量 248.32100
闪点 196.5ºC
精确质量 248.15200
PSA 79.11000
LogP 3.23890
蒸汽压 2.96E-05mmHg at 25°C
折射率 1.626
储存条件

通风低温干燥

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:3

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79.1

7.重原子数量:18

8.表面电荷:0

9.复杂度:212

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:1

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

毒理学数据:

口服-大鼠LDL0: 49 毫克/公斤; 腹腔-小鼠LD50: 72 毫克/公斤

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3850000
CHEMICAL NAME :
Indole, 3-(2-aminobutyl)-, monoacetate
CAS REGISTRY NUMBER :
118-68-3
LAST UPDATED :
199503
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H16-N2.C2-H4-O2
MOLECULAR WEIGHT :
248.36
WISWESSER LINE NOTATION :
T56 BMJ D1YZ2 &OV1

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 :
49 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,547,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
105 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - aggression
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 16,774,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,547,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00376 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2800 mg/kg/28D-C
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,547,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7800 mg/kg/1Y-I
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in spleen
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,697,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1890 mg/kg/21D-C
TOXIC EFFECTS :
Behavioral - excitement Gastrointestinal - other changes Liver - other changes
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,547,1962

海关编码 2933990090
海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
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%