2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

• ChemBase编号: 230564
• 分子式: C7H15N7
• 平均质量: 197.2409
• 单一同位素质量: 197.13889352
• SMILES: n1c(nc(nc1NCC)NN)NCC
• Canonical SMILES: CCNc1nc(NCC)nc(n1)NN
• InChI: InChI=1S/C7H15N7/c1-3-9-5-11-6(10-4-2)13-7(12-5)14-8/h3-4,8H2,1-2H3,(H3,9,10,11,12,13,14)
• InChIKey: BVGUQIRYCWKXNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
• IUPAC传统名: 2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
• 别名: N,N'-Diethyl-6-hydrazino-[1,3,5]triazine-2,4-diamine

登记号

• CAS号: 10421-98-4
• MDL号: MFCD03478313
• PubChem SID: 164286474
• PubChem CID: 25252

理论计算性质

• Acid pKa: 14.85448
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -1.0147322
• LogD (pH = 7.4): -0.8366699
• Log P: 0.94290483
• 摩尔折射率: 61.9511 cm^3
• 极化性: 19.897566 Å^3
• 极化表面积: 100.78 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.217

产品相关信息

• 纯度: 95%