[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methanamine hydrochloride

• ChemBase编号: 263994
• 分子式: C14H21ClN2O2
• 平均质量: 284.78174
• 单一同位素质量: 284.1291556
• SMILES: N1(C(=O)c2ccc(cc2)CN)CC(OC(C1)C)C.Cl
• Canonical SMILES: NCc1ccc(cc1)C(=O)N1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-10-8-16(9-11(2)18-10)14(17)13-5-3-12(7-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H
• InChIKey: DSNOGLIJDNDJHD-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD13196224
• PubChem SID: 164319904
• PubChem CID: 45792469

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.9631265
• LogD (pH = 7.4): -0.93151355
• Log P: 1.0116563
• 摩尔折射率: 71.3153 cm^3
• 极化性: 27.53405 Å^3
• 极化表面积: 55.56 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 251 - 253°C
• 疏水性(logP): 0.762

产品相关信息

• 纯度: 95%