1-(15N)cyano(15N3)guanidine

• ChemBase编号: 135280
• 分子式: C2H4N4
• 平均质量: 88.05359559
• 单一同位素质量: 88.03173572
• SMILES: C(#[15N])[15NH]C(=[15NH])[15NH2]
• Canonical SMILES: [15NH2]C(=[15NH])[15NH]C#[15N]
• InChI: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)/i3+1,4+1,5+1,6+1
• InChIKey: QGBSISYHAICWAH-PQVJJBODSA-N

名称和登记号

名称

• IUPAC标准名: 1-(^1^5N)cyano(^1^5N₃)guanidine
• IUPAC传统名: 1-(^1^5N)cyano(^1^5N₃)guanidine
• 别名: 二氰二氨-15N4; Dicyanodiamide-15N4; N-Cyanoguanidine-15N4; 1-Cyanoguanidine-15N4; 2-Cyanoguanidine-15N4; CGNA-15N4; Dicyandiamide-15N4; Dicyanodiamide-15N4; Didin-15N4; Epicure DICY-15N4; Cyanoguanidine-15N4

登记号

• MDL号: MFCD09840283
• PubChem SID: 162229555
• PubChem CID: 45038741

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: Water
• 外观: Off-White Paste
• 质量偏移: M+4

产品相关信息

• 同位素纯度: 98 atom % 15N
• Mol. Weight: mol wt 87.98 by atom % calculation
• 线性分子式: 15NH2C(=15NH)15NHC15N

详细说明

Sigma Aldrich - 608920

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - C981352

Labelled Cyanoguanidine (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)