6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase编号: 273270
• 分子式: C12H20Cl2N4O
• 平均质量: 307.2194
• 单一同位素质量: 306.10141664
• SMILES: N1(c2ncc(C(=N)N)cc2)CC(OCC1C)C.Cl.Cl
• Canonical SMILES: CC1OCC(N(C1)c1ccc(cn1)C(=N)N)C.Cl.Cl
• InChI: InChI=1S/C12H18N4O.2ClH/c1-8-7-17-9(2)6-16(8)11-4-3-10(5-15-11)12(13)14;;/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14);2*1H
• InChIKey: SYBDXWKSVIAUMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC传统名: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• 别名: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

登记号

• MDL号: MFCD18483307
• PubChem SID: 164329180
• PubChem CID: 54592796

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -1.4220726
• LogD (pH = 7.4): -1.4054015
• Log P: 0.99319285
• 摩尔折射率: 78.2278 cm^3
• 极化性: 25.277653 Å^3
• 极化表面积: 75.23 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

• 疏水性(logP): 0.716

产品相关信息

• 纯度: 95%