diethyl(methyl)[4-({[(propan-2-yl)imino]methylidene}amino)pentyl]azanium iodide

• ChemBase编号: 258502
• 分子式: C14H30IN3
• 平均质量: 367.31257
• 单一同位素质量: 367.14844598
• SMILES: C(=NC(C)C)=NC(CCC[N+](CC)(CC)C)C.[I-]
• Canonical SMILES: CC[N+](CCCC(N=C=NC(C)C)C)(CC)C.[I-]
• InChI: InChI=1S/C14H30N3.HI/c1-7-17(6,8-2)11-9-10-14(5)16-12-15-13(3)4;/h13-14H,7-11H2,1-6H3;1H/q+1;/p-1
• InChIKey: RXCFBQSRNHMQTJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: diethyl(methyl)[4-({[(propan-2-yl)imino]methylidene}amino)pentyl]azanium iodide
• IUPAC传统名: diethyl(4-{[(isopropylimino)methylidene]amino}pentyl)methylazanium iodide
• 别名: N,N-diethyl-4-{[(isopropylimino)methylene]amino}-N-methylpentan-1-aminium iodide

登记号

• MDL号: MFCD11857823
• PubChem SID: 164314412
• PubChem CID: 43810778

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.4702066
• LogD (pH = 7.4): -1.469092
• Log P: -1.4690777
• 摩尔折射率: 86.8181 cm^3
• 极化性: 29.137388 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -2.371

产品相关信息

• 纯度: 95%