(diaminomethylidene)urea; sulfuric acid

• ChemBase编号: 169812
• 分子式: C2H8N4O5S
• 平均质量: 200.17372
• 单一同位素质量: 200.02154038
• SMILES: NC(=NC(=O)N)N.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.NC(=NC(=O)N)N
• InChI: InChI=1S/C2H6N4O.H2O4S/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H2,1,2,3,4)
• InChIKey: SQRSGVMGWSKZTQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (diaminomethylidene)urea; sulfuric acid
• IUPAC传统名: diaminomethylideneurea; sulfuric acid
• 别名: N-(Aminoiminomethyl)urea Sulfate; Amidinourea Sulfate; Carbamylguanidine Sulfate; Dicyanodiamidine Sulfate; Diuretamidine Sulfate; Guanyl Urea Sulfate

登记号

• CAS号: 591-01-5
• PubChem SID: 162263944
• PubChem CID: 79265

理论计算性质

• Acid pKa: 13.621483
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.5137036
• LogD (pH = 7.4): -2.0448017
• Log P: -2.0338795
• 摩尔折射率: 23.4865 cm^3
• 极化性: 8.76525 Å^3
• 极化表面积: 107.49 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - G844500

It is used for detecting and determining Ni and its separation from Co and other metals.

参考文献

• Jacob, K.D., et al.: J. Agric. Res., 28, 37 (1924)