(E)-N-(pyridin-2-ylmethylidene)hydroxylamine

• ChemBase编号: 78543
• 分子式: C6H6N2O
• 平均质量: 122.12464
• 单一同位素质量: 122.04801282
• SMILES: n1c(cccc1)/C=N/O
• Canonical SMILES: O/N=C/c1ccccn1
• InChI: InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H
• InChIKey: MTFJSAGADRTKCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (E)-N-(pyridin-2-ylmethylidene)hydroxylamine; N-(pyridin-2-ylmethylidene)hydroxylamine
• IUPAC传统名: 3-pyridine-aldoxime; 2-pyridinealdoxime
• 别名: 吡啶-2-甲醛肟; 吡啶-2-醛肟; [C(E)]-2-Pyridinecarboxaldehyde Oxime; (E)-2-Pyridinecarboxaldehyde Oxime; (E)-Picolinaldehyde Oxime; (E)-2-Pyridylaldoxime; syn-2-Pyridine Aldoxime; syn-Pyridin-2-aldoxime; syn-2-Pyridinealdoxime; Pyridine-2-aldoxime; Pyridine-2-carboxaldoxime; syn-2-Pyridinealdoxime; Picolinaldehyde oxime; syn-Pyridine-2-carboxaldehyde oxime; syn-Pyridine-2-aldoxime; Pyridine-2-carboxaldehyde oxime; Pyridine-2-aldoxime

登记号

• CAS号: 873-69-8; 1193-96-0
• EC号: 212-849-6
• MDL号: MFCD00006354; MFCD00167166
• Beilstein号: 109061
• PubChem SID: 24898710; 162043306
• PubChem CID: 5356792

理论计算性质

• Acid pKa: 8.875868
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.1435865
• LogD (pH = 7.4): 1.130322
• Log P: 1.1520987
• 摩尔折射率: 33.9216 cm^3
• 极化性: 12.684851 Å^3
• 极化表面积: 45.48 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; methanol: soluble0.1 g/mL, clear
• 外观: Off-White Solid
• 熔点: 110-112 °C(lit.); 110-112°C; 110-112°C; 111-113 °C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Harmful; Irritant
• RTECS编号: TJ4180000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22; 22-37/38-41
• 安全公开号: 26-36/37/39; 36
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301; H302-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P264-P270-P301+P310-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥98.0% (NT); ≥99%; 95+%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C6H6N2O

详细说明

Sigma Aldrich - P58200

包装
25, 100 g in glass bottle

Sigma Aldrich - 82760

Other Notes
用于 Au(II)、Co(II)、Cu(II)、Fe(II)、Pd(II) 和 Ru(III) 光谱法测定的试剂，综述 11；用于肽合成2

Toronto Research Chemicals - P991290

syn-2-Pyridinealdoxime is a 2-substituted pyridine derivative with inhibitory activity against prolyl-4-hydroxylase. syn-2-Pyridinealdoxime is used in the preparation of DNA-binding silver nitrate complexes. syn-2-Pyridinealdoximeis the N-demethylated ana

参考文献

• Dowell, R.I. et al.: Eur. J. Med. Chem., 28, 513 (1993)
• Hoskovcova, M. et al.: Neuroendorinol. Lett., 30, 152 (1993)
• Abu-Youssef, M.A.M.: Inorg. Chem., 49, 9788 (1993)
• The tetramethylguanidine salt was one of the best reagents tried for cleavage of a 2-chlorophenyl protecting group in oligonucleotide synthesis: Tetrahedron Lett., 2727 (1978).