2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride

• ChemBase编号: 239341
• 分子式: C10H22ClNO
• 平均质量: 207.74078
• 单一同位素质量: 207.13899201
• SMILES: C1(C(CC1OC)NC)(CC)CC.Cl
• Canonical SMILES: CNC1CC(C1(CC)CC)OC.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-5-10(6-2)8(11-3)7-9(10)12-4;/h8-9,11H,5-7H2,1-4H3;1H
• InChIKey: MMPGZDAACRTDMY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride
• IUPAC传统名: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride
• 别名: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride

登记号

• MDL号: MFCD22378723
• PubChem SID: 164295251
• PubChem CID: 71756393

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.5349234
• LogD (pH = 7.4): -0.9101672
• Log P: 1.6888871
• 摩尔折射率: 50.8004 cm^3
• 极化性: 20.644295 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.708

产品相关信息

• 纯度: 95%