hydroxy(methyl)azanium chloride

• ChemBase编号: 301903
• 分子式: CH5ClNO
• 平均质量: 82.5095
• 单一同位素质量: 82.00596647
• SMILES: C[NH+]O.[Cl-]
• Canonical SMILES: C[NH+]O.[Cl-]
• InChI: InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H
• InChIKey: RGZRSLKIOCHTSI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hydroxy(methyl)azanium chloride
• IUPAC传统名: hydroxy(methyl)azanium chloride
• 别名: N-甲基羟基胺盐酸盐; N-Methylhydroxylamine hydrochloride

登记号

• CAS号: 4229-44-1
• EC号: 224-181-2
• MDL号: MFCD00012597
• Beilstein号: 3541409

理论计算性质

• Acid pKa: 16.820272
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -0.61248004
• LogD (pH = 7.4): -0.51816565
• Log P: -0.5168203
• 摩尔折射率: 22.9762 cm^3
• 极化性: 4.6925015 Å^3
• 极化表面积: 36.84 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: 80-86°C

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98%

参考文献

• Reacts with aldehydes and ketones to give nitrones, which undergo 1,3-dipolar addition reactions with alkenes. Cycloaddition to trimethylvinylsilane has been used in a 2-carbon extension of aldehydes to ɑ?-unsaturated aldehydes: J. Org. Chem., 49, 3421 (1984):
  
• Intramolecular cycloaddition has been used as a route to bicyclic systems, e.g. from citronellal: Org. Synth. Coll., 6, 670 (1988).
• Reviews: 1,3-Dipolar cycloadditions of nitrones: Synthesis, 205 (1975). The [3+2] nitrone-olefin cycloaddition reaction: Org. React., 36, 1 (1988). Synthetic applications of nitrones: Org. Prep. Proced. Int., 17, 25 (1985).
• For conversion to, and reactions of, the N,O-bis(TMS) derivative, see: J. Chem. Soc., Perkin 1, 1823 (1989).