hydroxylamine

• ChemBase编号: 127753
• 分子式: H3NO
• 平均质量: 33.02992
• 单一同位素质量: 33.02146372
• SMILES: NO
• Canonical SMILES: NO
• InChI: InChI=1S/H3NO/c1-2/h2H,1H2
• InChIKey: AVXURJPOCDRRFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hydroxylamine
• IUPAC系统名: Hydroxylamine
• IUPAC传统名: hydroxylamine; primary amine
• 别名: 羟胺 溶液; 羟胺; HDA; Hydroxylamine solution; Aminol; Azanol; Hydroxyamine; Hydroxyazane; Hydroxylazane; Nitrinous acid; Hydroxylamine; Hydroxylamine

登记号

• CAS号: 7803-49-8
• EC号: 232-259-2
• MDL号: MFCD00044522
• Beilstein号: 1098214
• 默克索引号: 144828
• PubChem SID: 24870439; 24867438; 162222071
• PubChem CID: 787
• CHEBI ID: 15429
• CHEMBL: 1191361
• Chemspider ID: 766
• Gmelin ID: 478
• KEGG ID: C00192
• 医学主题词(MeSH): Hydroxylamine
• 美国药典/FDA物质标识码: 2FP81O2L9Z
• 维基百科标题: Hydroxylamine

理论计算性质

• Acid pKa: 17.64608
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.7521895
• LogD (pH = 7.4): -0.7406456
• Log P: -0.7404964
• 摩尔折射率: 7.8487 cm^3
• 极化性: 2.923362 Å^3
• 极化表面积: 46.25 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

• 外观: Vivid white, opaque crystals
• 熔点: 33°C; 7°C
• 沸点: >100 °C; 107 °C; 107-114°C; 58°C (decomposes)
• 闪点: 129 °C; None
• 自燃点: 265 °C
• 密度: 1.078 g/mL at 25 °C; 1.120; 1.21 g cm^-3 (at 20 °C)
• 折射率: 1.3940
• 蒸汽压: 9 mmHg ( 40 °C)
• 分配系数: -0.758
• pKa: 13.7
• pKb: 0.3
• 热容: 46.47 J K^-1 mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -39.9 kJ mol^-1
• 标准摩尔熵 (S^o298): 236.18 J K^-1 mol^-1

安全信息

• RTECS编号: NC2975000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3082; UN3266
• 德国WGK号: 3
• 联合国危险货物等级: 8; 9
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-37/38-40-41-43-48/20/21/22-50; 5-21/22-37/38-40-41-43-48/22-50; R2, R21/22, R37/38, R40, R41, R43, R48/22, R50
• 安全公开号: 23-26-36/37/39-57; 26-36/37/39-46-61; S2, S26, S36/37/39, S61
• TSCA收录: 是
• 欧盟危险品索引: 612-122-00-7
• GHS危险品标识: GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  1

  2

  3
• 半数致死量: 408 mg/kg (oral, mouse); 59–70 mg/kg (intraperitoneal mouse, rat); 29 mg/kg (subcutaneous, rat)
• GHS危险声明: H290-H302 + H312-H315-H317-H318-H335-H351-H373-H400; H290-H302-H312-H315-H317-H318-H335-H351-H373-H400; H318-H315-H351-H373-H400-H302-H317-H335-H313
• GHS警示性声明: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P273-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

产品相关信息

• 纯度: 50% aq. soln.; 99.999%
• 浓度: 50 wt. % in H2O
• 线性分子式: NH2OH

详细说明

Sigma Aldrich - 438227

包装
50, 250 mL in poly bottle
Application
Reactant for preparation of:
• Prodrug for cardiovascular agent Nω-hydroxy-L-arginine (NOHA, nitric oxide precursor)1
• Hydroxyaminoguanidines as anti-cancer agents2
• Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced phosphoenolpyruvate caboxykinase (PEPCK) transactivation3
• Carboxamide derivatives of ofloxacin with improved antimicrobial properties4
• Analogues of coumarin based TNF-α converting enzyme (TACE) inhibitors5
• HIV integrase inhibitors6

Sigma Aldrich - 467804

包装
10, 50 mL in poly bottle
Application
Reactant for preparation of:
• Prodrug for cardiovascular agent Nω-hydroxy-L-arginine (NOHA, nitric oxide precursor)1
• Hydroxyaminoguanidines as anti-cancer agents2
• Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced phosphoenolpyruvate caboxykinase (PEPCK) transactivation3
• Carboxamide derivatives of ofloxacin with improved antimicrobial properties4
• Analogues of coumarin based TNF-α converting enzyme (TACE) inhibitors5
• HIV integrase inhibitors6