N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine

• ChemBase编号: 109467
• 分子式: C13H23N3O
• 平均质量: 237.34122
• 单一同位素质量: 237.18411237
• SMILES: CCN1CCOC(C1)N=C=NC1CCCCC1
• Canonical SMILES: CCN1CCOC(C1)N=C=NC1CCCCC1
• InChI: InChI=1S/C13H23N3O/c1-2-16-8-9-17-13(10-16)15-11-14-12-6-4-3-5-7-12/h12-13H,2-10H2,1H3
• InChIKey: RWQVFKTZTJCTCM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine
• IUPAC传统名: N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine
• 别名: 1-CYCLOHEXYL-3-(2-MORPHOLINYL-4-ETHYL)CARBODIIMIDE (ME-P-TOL. SULFONATE)

登记号

• PubChem SID: 162106307
• PubChem CID: 18466248

理论计算性质

• Acid pKa: 18.430458
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7874887
• LogD (pH = 7.4): 2.4550917
• Log P: 2.4758186
• 摩尔折射率: 67.886 cm^3
• 极化性: 26.58122 Å^3
• 极化表面积: 37.19 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05211160

MP Biomedicals Rare Chemical collection