{3-[2-(chloromethyl)phenoxy]propyl}dimethylamine hydrochloride

• ChemBase编号: 76014
• 分子式: C12H19Cl2NO
• 平均质量: 264.19136
• 单一同位素质量: 263.08436959
• SMILES: O(c1ccccc1CCl)CCCN(C)C.Cl
• Canonical SMILES: ClCc1ccccc1OCCCN(C)C.Cl
• InChI: InChI=1S/C12H18ClNO.ClH/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13;/h3-4,6-7H,5,8-10H2,1-2H3;1H
• InChIKey: FJINIPMBLHIDJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-[2-(chloromethyl)phenoxy]propyl}dimethylamine hydrochloride
• IUPAC传统名: {3-[2-(chloromethyl)phenoxy]propyl}dimethylamine hydrochloride
• 别名: 3-[2-(chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride; 3-[2-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride; 2-[3-(Dimethylamino)propoxy]benzyl chloride hydrochloride 97%

登记号

• CAS号: 930111-03-8
• MDL号: MFCD09702397
• PubChem SID: 162040932
• PubChem CID: 24229614

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.82817733
• LogD (pH = 7.4): 0.6284484
• Log P: 2.481421
• 摩尔折射率: 65.2726 cm^3
• 极化性: 25.390676 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 145.5-152.5°C

安全信息

• 保存注意事项: Harmful

产品相关信息

• 纯度: 97%