1-cyanoguanidine

• ChemBase编号: 104904
• 分子式: C2H4N4
• 平均质量: 84.07996
• 单一同位素质量: 84.04359615
• SMILES: NC(=N)NC#N
• Canonical SMILES: NC(=N)NC#N
• InChI: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
• InChIKey: QGBSISYHAICWAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyanoguanidine
• IUPAC传统名: 2-cyanoguanidine
• 别名: 二氰二氨; 氰基胍; 双氰胺; 双氰胺; 氰基胍; Dicyanodiamide; N-Cyanoguanidine; 1-Cyanoguanidine; 2-Cyanoguanidine; CGNA; Didin; Epicure DICY; Cyanoguanidine; Dicyandiamide; Cyanoguanidine; DICYANDIAMIDE; Metformin Related Compound A (USP); Metformin impurity A (PhEur); Dicyandiamide; Cyanoguanidine

登记号

• CAS号: 461-58-5
• EC号: 207-312-8
• MDL号: MFCD00008066
• Beilstein号: 605637
• 默克索引号: 143092
• PubChem SID: 24894150; 162092056; 24862598
• PubChem CID: 10005

理论计算性质

• Acid pKa: 10.006445
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.369607
• LogD (pH = 7.4): -2.650469
• Log P: -0.9787131
• 摩尔折射率: 31.5923 cm^3
• 极化性: 7.347282 Å^3
• 极化表面积: 85.69 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; H2O: soluble0.1 g/mL, clear; Methanol
• 外观: White Solid
• 熔点: 208-210 °C; 208-211 °C(lit.); 208-211°C; 209.5 °C; 209-211°C
• 密度: 1.4 g/cm^3 at 20 °C; 1.400

安全信息

• 保存条件: 2-8°C; Refrigerator
• RTECS编号: ME9950000
• 德国WGK号: 1
• 危险公开号: R:22
• 安全公开号: S:36/37/39
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (HPLC); ≥98.0% (T); 99%
• 级别: purum
• 杂质: ≤10.0% related substances; ≤5.0% solvents; ≤5.0% water
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: NH2C(=NH)NHCN

详细说明

MP Biomedicals - 02157661

(Cyanoguanidine)

Sigma Aldrich - D76609

包装
1 kg in poly bottle
25 g in poly bottle
3 kg in poly drum

Toronto Research Chemicals - C981350

A guanidine derivative used in the synthesis of barbiturates.

参考文献

• Kumar, U., et al.: Curr. Sci., 79, 224 (2000)
• Di, H., et al.: Biol. Fertil. Soils, 2006, 42, 472 (2000)
• Reacts with aromatic nitriles in the presence of base to give 6-aryl-1,3,5-triazines (benzoguanamines); see, e.g.: Org. Synth. Coll., 4, 78 (1963).