146-37-2

• 常用中文名：醋酸劳利铵
• 常用英文名：laurolinium acetate
• CAS号：146-37-2
• 分子式：C₂₄H₃₈N₂O₂
• 分子量：386.57100
• 相关类别： 无机化工 无机盐 无机铵盐
• 发布时间：2018-03-09 08:00:00
• 更新时间：2024-01-14 12:47:41

名称

• 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

物化性质

• 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

毒性和生态

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