喷他脒

外观与性状：

橙色固体

密度：

1.2g/cm3

熔点：

186ºC (dec.)

沸点：

539.4ºC at 760mmHg

闪点：

280ºC

蒸汽压：

1.06E-11mmHg at 25°C

其它信息：

1.熔点（℃）：186。

包装等级：

III

风险类别：

6.1(b)

海关代码：

2925290090

CHEMICAL IDENTIFICATION

RTECS NUMBER :

CV6475000

CHEMICAL NAME :

Benzamidine, 4,4'-(pentamethylenedioxy)di-

CAS REGISTRY NUMBER :

100-33-4

BEILSTEIN REFERENCE NO. :

3159790

LAST UPDATED :

199612

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C19-H24-N4-O2

MOLECULAR WEIGHT :

340.47

WISWESSER LINE NOTATION :

MUYZR DO5OR DYZUM

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

28 mg/kg/1W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - body temperature increase

REFERENCE :

AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 145,2247,1985

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

4 mg/kg/3D

TOXIC EFFECTS :

Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase

REFERENCE :

LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 246,338,1944

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

4 mg/kg

TOXIC EFFECTS :

Endocrine - hypoglycemia

REFERENCE :

AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 99,128,1983

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

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: 18,794,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

BSCFAS Bulletin de la Societe Chimique de France. (CDR-Centrale des Revues, 11, rue Gossin, F-92543 Montrouge Cedex, France) V.1- 1864- Volume(issue)/page/year: -,376,1968

中国海关编码：2925290090

概述：

2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构数据

1、  摩尔折射率：95.45

2、  摩尔体积（cm³/mol）：95.45

3、  等张比容（90.2K）：745.3

4、  表面张力（dyne/cm）：745.3

5、  极化率（10-24cm3）：37.83

计算化学数据

1.疏水参数计算参考值（XlogP）:2.6

2.氢键供体数量:4

3.氢键受体数量:4

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积118

7.重原子数量:25

8.表面电荷:0

9.复杂度:376

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