(13C)urea

• ChemBase编号: 106256
• 分子式: CH4N2O
• 平均质量: 61.04791484
• 单一同位素质量: 61.0357176
• SMILES: N[13C](=O)N
• Canonical SMILES: N[13C](=O)N
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
• InChIKey: XSQUKJJJFZCRTK-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C)urea
• IUPAC传统名: urea C13
• 别名: 尿素-13C; Aquacare-13C; Aquadrate-13C; B-I-K-13C; Basodexan-13C; Benural 70-13C; Carbamimidic Acid-13C; Carbonyl Diamide-13C; Carmol 40-13C; Keratinamin-13C; Urepearl-13C; HELIKIT; KW 9100; OPC 198; Urea-13C; UREA [13C]; 13C Labeled urea; Carbamide-13C; Carbonyldiamide-13C; Urea-13C

登记号

• CAS号: 58069-82-2
• MDL号: MFCD00064398
• PubChem SID: 162093141; 24858037; 24881841
• PubChem CID: 636363

理论计算性质

• 里宾斯基五规则: true
• 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

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 132-135 °C(lit.); 133-137°C
• 质量偏移: M+1

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 德国WGK号: 1

产品相关信息

• 纯度: 99%
• 级别: research grade
• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 61.05 by atom % calculation
• 线性分子式: H2N13CONH2

详细说明

MP Biomedicals - 02530387

H₂ NC ONH₂
Purity: 99% ^13 C atom

Sigma Aldrich - 603430

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.

Sigma Aldrich - 299359

包装
1, 5 g 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 - U822503

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)