丙吗卡因

丙吗卡因 基本信息
CAS号 140-65-8 分子式 C17H27NO3
分子量 293.40100 精确质量  293.19900
PSA  30.93000 LogP  2.90450

基本信息 展开↓

CAS号:
140-65-8
3D弹球模型:
立即前往扯扯看
分子式:
C17H27NO3
分子量:
293.40100
中文名称:
丙吗卡因
英文名称:
pramocaine
中文别名:
丙吗卡因
英文别名:
pramocaine;
pramocainum;
Tronopthane;
Proxazocain;
Tronothane;
4-[3-(4-butoxyphenoxy)propyl]morpholine;
Pramocaine;
pramoxine
精确分子量/精确质量:
293.19900
极性分子表面积/PSA:
30.93000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: DQKXQSGTHWVTAD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.031g/cm3
沸点:
427ºC at 760 mmHg
闪点:
123.5ºC
折射率:
1.505
蒸汽压:
1.7E-07mmHg at 25°C

安全信息展开↓

海关代码:
2934999090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD8575000
CHEMICAL NAME :
Morpholine, 4-(3-(p-butoxyphenoxy)propyl)-
CAS REGISTRY NUMBER :
140-65-8
BEILSTEIN REFERENCE NO. :
0239059
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C17-H27-N-O3
MOLECULAR WEIGHT :
293.45
WISWESSER LINE NOTATION :
T6N DOTJ A3OR DO4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 38,265,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 38,265,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
79 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,291,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9141 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 153 (estimated) No. of Female Employees: 150 (estimated)

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):3.1

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:9

5.互变异构体数量:无

6.拓扑分子极性表面积:30.9

7.重原子数量:21

8.表面电荷:0

9.复杂度:248

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:1

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