1-[(hydrazinecarbonyl)methyl](2H5)pyridin-1-ium chloride

• ChemBase编号: 169633
• 分子式: C7H10ClN3O
• 平均质量: 187.6268
• 单一同位素质量: 187.05123964
• SMILES: c1ccc[n+](c1)CC(=O)NN.[Cl-]
• Canonical SMILES: NNC(=O)C[n+]1ccccc1.[Cl-]
• InChI: InChI=1S/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H
• InChIKey: NDXLVXDHVHWYFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(hydrazinecarbonyl)methyl](^2H₅)pyridin-1-ium chloride
• IUPAC传统名: 1-[(hydrazinecarbonyl)methyl](^2H₅)pyridin-1-ium chloride
• 别名: 1-(Carboxymethyl)pyridinium-d6 Chloride Hydrazide; 1-(2-Hydrazino-2-oxoethyl)pyridinium-d5 Chloride; Girard-P Reagent-d5; Girard’s P Reagent-d5; (Pyridinio-d5)acetohydrazide Chloride; Girard's Reagent P-d5

登记号

• PubChem SID: 162263765
• PubChem CID: 71317071

理论计算性质

• Acid pKa: 9.951232
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.8146076
• LogD (pH = 7.4): -4.8143306
• Log P: -4.81323
• 摩尔折射率: 42.4474 cm^3
• 极化性: 16.027105 Å^3
• 极化表面积: 59.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - G388502

A labelled girard’s reagent used in the identification and quantification of protein carbonylation as well as in the modification of nucleosides and nucleotides. Used in the preparation of potent photoactive agents.

参考文献

• Mirzaei, H. et al.: J. Chrom. A, 1134, 122 (2007)
• Kanofsky, J.R. et al.: Photochem. Photobiol., 73, 349 (2007)