146-37-2

146-37-2结构式
146-37-2结构式

化源商城直购

中文名 醋酸劳利铵
英文名 1-dodecyl-2-methylquinolin-1-ium-4-amine,acetate
英文别名 N-Dodecyl-4-aminoquinaldinium acetate
Laurolinii acetas [INN-Latin]
Acetato de laurolinio [INN-Spanish]
Laurodin
Acetate de laurolinium [INN-French]
Laurolinium acetate
EINECS 205-668-9
4-Amino-1-dodecylquinaldinium acetate
4-amino-1-dodecyquinaldinium acetate
熔点 170-171°
分子式 C24H38N2O2
分子量 386.57100
精确质量 386.29300
PSA 70.03000
LogP 5.27620
储存条件

通风低温干燥处。

计算化学

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:3

4.可旋转化学键数量:11

5.互变异构体数量:2

6.拓扑分子极性表面积70

7.重原子数量:28

8.表面电荷:0

9.复杂度:343

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

毒理学数据:

口服-小鼠LD50: 132 毫克/公斤; 腹腔-小鼠LD50: 2 毫克/公斤。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA0350000
CHEMICAL NAME :
Quinaldinium, 4-amino-1-dodecyl-, acetate
CAS REGISTRY NUMBER :
146-37-2
LAST UPDATED :
199012
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C22-H35-N2.C2-H3-O2
MOLECULAR WEIGHT :
386.64
WISWESSER LINE NOTATION :
T66 BKJ B12 C1 EZ &Q &OV1

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 :
132 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 15,129,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 15,129,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 15,129,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 15,129,1963