(2H3)methylbis(naphthalen-1-ylmethyl)amine hydrochloride

• ChemBase编号: 174014
• 分子式: C23H22ClN
• 平均质量: 347.88048
• 单一同位素质量: 347.14407739
• SMILES: c1ccc2c(c1)c(ccc2)CN(Cc1c2c(ccc1)cccc2)C.Cl
• Canonical SMILES: CN(Cc1cccc2c1cccc2)Cc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C23H21N.ClH/c1-24(16-20-12-6-10-18-8-2-4-14-22(18)20)17-21-13-7-11-19-9-3-5-15-23(19)21;/h2-15H,16-17H2,1H3;1H
• InChIKey: ZAUPVKKXCANPCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)methylbis(naphthalen-1-ylmethyl)amine hydrochloride
• IUPAC传统名: (^2H₃)methylbis(naphthalen-1-ylmethyl)amine hydrochloride
• 别名: N-Methyl-d3-N-(1-naphthalenylmethyl)-1-naphthalenemethanamine Hydrochloride

登记号

• PubChem SID: 164229924
• PubChem CID: 71750474

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.2085452
• LogD (pH = 7.4): 3.4090219
• Log P: 5.618069
• 摩尔折射率: 102.1137 cm^3
• 极化性: 42.39185 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: CDCl3; Dichloromethane
• 外观: White Solid

详细说明

Toronto Research Chemicals - M323152

Antifungal.