{3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride

• ChemBase编号: 263403
• 分子式: C14H23ClN2O
• 平均质量: 270.79822
• 单一同位素质量: 270.14989105
• SMILES: N1(Cc2cc(CN)ccc2)CC(OC(C1)C)C.Cl
• Canonical SMILES: NCc1cccc(c1)CN1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C14H22N2O.ClH/c1-11-8-16(9-12(2)17-11)10-14-5-3-4-13(6-14)7-15;/h3-6,11-12H,7-10,15H2,1-2H3;1H
• InChIKey: RRCNAPMZYJQSDW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride
• IUPAC传统名: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride
• 别名: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride

登记号

• MDL号: MFCD13196065
• PubChem SID: 164319313
• PubChem CID: 45792321

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.3297522
• LogD (pH = 7.4): -0.7358536
• Log P: 1.6550606
• 摩尔折射率: 70.9862 cm^3
• 极化性: 28.0924 Å^3
• 极化表面积: 38.49 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.879

产品相关信息

• 纯度: 95%