(13C,15N2)urea

• ChemBase编号: 145970
• 分子式: CH4N2O
• 平均质量: 63.03473263
• 单一同位素质量: 63.02978738
• SMILES: [13C](=O)([15NH2])[15NH2]
• Canonical SMILES: [15NH2][13C](=O)[15NH2]
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1,2+1,3+1
• InChIKey: XSQUKJJJFZCRTK-VMIGTVKRSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C,^1^5N₂)urea
• IUPAC传统名: (^1^3C,^1^5N₂)urea
• 别名: 尿素-13C,15N2; Urea-13C,15N2; Aquacare-13C,15N2; Aquadrate-13C,15N2; B-I-K-13C,15N2; Basodexan-13C,15N2; Benural 70-13C,15N2; Carbamide-13C,15N2; Carbamimidic Acid-13C,15N2; Carbonyl Diamide-13C,15N2; Carmol 40-13C,15N2; Keratinamin-13C,15N2; Urepearl-13C,15N2; Urea-13C,15N2

登记号

• CAS号: 58069-83-3; 78405-35-3
• MDL号: MFCD00145506
• PubChem SID: 162240170; 24872621
• PubChem CID: 16213489

理论计算性质

• Acid pKa: 15.731965
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -1.3638339
• LogD (pH = 7.4): -1.3638339
• Log P: -1.3638339
• 摩尔折射率: 13.1426 cm^3
• 极化性: 5.02445 Å^3
• 极化表面积: 69.11 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
• 外观: White to off-White Solid
• 熔点: 132-135 °C(lit.); 132-135°C
• 质量偏移: M+3

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 3
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• 同位素纯度: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 62.99 by atom % calculation
• 线性分子式: H215N13CO15NH2

详细说明

Sigma Aldrich - 490954

包装
500 mg in glass bottle
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 - U822502

Labelled Urea. Physiological regulator of nitrogen excretion in mammals; synthesized in the liver as an end-product of protein catabolism and excreted in urine. Also occurs normally in skin. Emollient; diuretic.

参考文献

• Demetriou, A., et al.: Science, 233, 1190 (1986)
• Aebischer, P., et al.: Nat. Med., 2, 696 (1986)
• Prakash, S., et al.: Biotechnol. Bioeng., 46, 621 (1986)