N-methylhydroxylamine hydrochloride

• ChemBase编号: 76242
• 分子式: CH6ClNO
• 平均质量: 83.51744
• 单一同位素质量: 83.0137915
• SMILES: N(C)O.Cl
• Canonical SMILES: CNO.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: N-methylhydroxylamine hydrochloride
• IUPAC传统名: N-methylhydroxylamine hydrochloride
• 别名: N-甲基羟胺 盐酸盐; N-Methylhydroxylamine hydrochloride; N-Methylhydroxylamine hydrochloride; N-METHYLHYDROXYLAMINE HCl; N-METHYLHYDROXYLAMINE; Methylhydroxylamine Hydrochloride; Methylhydroxylammonium Chloride; N-Hydroxy-N-methanamine Hydrochloride; N-Hydroxy-N-methylammonium Chloride; N-Hydroxymethanamine Hydrochloride; N-Methylhydroxylamine Hydrochloride; N-Methylhydroxylammonium Chloride

登记号

• CAS号: 4229-44-1
• EC号: 224-181-2
• MDL号: MFCD00012597
• Beilstein号: 3541409
• PubChem SID: 24896973; 162041149; 24885281
• PubChem CID: 77906

理论计算性质

• Acid pKa: 16.820272
• 质子受体: 2
• 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: 22.1762 cm^3
• 极化性: 4.7371387 Å^3
• 极化表面积: 32.26 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: H2O: soluble0.1 g/mL, clear, very faintly yellow
• 熔点: 82-84 °C; 83-84°C; 86 - 88°C; 86-88 °C(lit.)
• 疏水性(logP): -1.104

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Irritant/Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 95%; 98%
• 级别: purum
• 线性分子式: CH3NHOH · HCl

详细说明

MP Biomedicals - 05216923

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155575

Hydrochloride Crystalline

Sigma Aldrich - M50400

包装
5, 10 g in glass bottle
Application
用于形成异羟肟酸盐，这是用于铁络合的重要官能团1

Sigma Aldrich - 67545

Other Notes
与甲醛形成硝酮以及与烯烃发生 [2+3] 环加成反应?1

Toronto Research Chemicals - M312780

N-Methylhydroxylamine is used as an inorganic catalyst used in the transamidation of primary amides with amines.

参考文献

• Allen, C.L. et al.: Ange. Chem. Int. Ed., 51, 1383 (2012)