1,3,5-triazine-2,4-di(15N)amine

• ChemBase编号: 135272
• 分子式: C3H5N5
• 平均质量: 113.0921178
• 单一同位素质量: 113.04856497
• SMILES: c1nc(nc(n1)[15NH2])[15NH2]
• Canonical SMILES: [15NH2]c1ncnc(n1)[15NH2]
• InChI: InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)/i4+1,5+1
• InChIKey: VZXTWGWHSMCWGA-MQIHXRCWSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5-triazine-2,4-di(^1^5N)amine
• IUPAC传统名: 1,3,5-triazine-2,4-di(^1^5N)amine
• 别名: 2,4-二氨基-15N2-1,3,5-三嗪; 2,4-Diamino-15N2-1,3,5-triazine

登记号

• MDL号: MFCD01075614
• PubChem SID: 24874852; 162229547
• PubChem CID: 16213885

理论计算性质

• Acid pKa: 15.574931
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -0.82059604
• LogD (pH = 7.4): -0.45212454
• Log P: -0.44454786
• 摩尔折射率: 31.8144 cm^3
• 极化性: 10.011906 Å^3
• 极化表面积: 90.71 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

• 熔点: 202-205 °C(lit.)
• 质量偏移: M+2

产品相关信息

• 同位素纯度: 98 atom % 15N
• Mol. Weight: mol wt 113.06 by atom % calculation
• Empirical Formula (Hill Notation): C3H515N2N3

详细说明

Sigma Aldrich - 617563

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.