N,N-diethylhydroxylamine

• ChemBase编号: 106952
• 分子式: C4H11NO
• 平均质量: 89.13624
• 单一同位素质量: 89.08406398
• SMILES: CCN(O)CC
• Canonical SMILES: CCN(CC)O
• InChI: InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
• InChIKey: FVCOIAYSJZGECG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethylhydroxylamine
• IUPAC传统名: diethylhydroxylamine
• 别名: N,N-二乙基羟胺; N,N-二乙基羟胺 溶液; N,N-DIETHYLHYDROXYLAMINE TECHNICAL GRADE; N-Ethyl-N-hydroxy-ethanamine; Diethylhydroxylamine; N,N-diethyl hydroxyl amine; N,N-Diethylhydroxylamine; N,N-Diethylhydroxylamine solution

登记号

• CAS号: 3710-84-7
• EC号: 223-055-4
• MDL号: MFCD00002126
• Beilstein号: 1731349
• PubChem SID: 24859411; 24870888; 162093679; 24870745
• PubChem CID: 19463
• Chemspider ID: 18340
• 医学主题词(MeSH): N,N-diethylhydroxylamine
• 美国药典/FDA物质标识码: 314I05EDVH
• 维基百科标题: Diethylhydroxylamine

理论计算性质

• Acid pKa: 15.580632
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.12029295
• LogD (pH = 7.4): 0.13865052
• Log P: 0.13888969
• 摩尔折射率: 25.9552 cm^3
• 极化性: 10.242338 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: Colorless liquid
• 熔点: -25 °C; -25°C; -26 - -25°C; -26--25 °C(lit.)
• 沸点: 125-130 °C; 125-130 °C(lit.); 125-130°C; 127.55°C (400.7K)
• 闪点: 113 °F; 45 °C; 46°C(114°F)
• 密度: 0.867; 0.867 g/mL at 25 °C(lit.); 0.902 g/mL at 25 °C; 867 mg mL^-1
• 折射率: 1.4215; n20/D 1.419; n20/D 1.420; n20/D 1.420(lit.)
• 蒸汽压: 4 mmHg ( 0 °C); 500 Pa (at 0 °C)
• 蒸汽密度: 3.07 (vs air)
• 气味: Ammoniacal
• 热容: 370.8 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -2.97201–-2.97069 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -175.47–-174.03 kJ mol^-1

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: NC3500000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-20/21-36/37/38-68; 10-20/21-36/38-53; r10, r21, r38
• 安全公开号: 26-36/37; 9-23-26-36/37; r36/37
• TSCA收录: 是
• GHS危险品标识: GHS exclamation mark; GHS flame; GHS02; GHS06; GHS07; GHS08
• GHS警示词: WARNING; Warning
• 半数致死量: 1.3 g kg^-1 (dermal, rabbit); 2.19 g kg^-1 (oral, rat)
• 爆炸极限: 1.9–10%; 10 %
• GHS危险声明: 226, 312, 315, 319, 332; H226-H312 + H332-H315-H319; H311-H332-H315-H319-H335-H226-H341
• GHS警示性声明: 280, 305+351+338; P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A; 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 1993 3/PG 3

产品相关信息

• 纯度: ≥97.0% (GC); ≥98%; 97%
• 浓度: 85 wt. % in H2O
• 级别: purum; TECHNICAL
• 线性分子式: (C2H5)2NOH; (CH3CH2)2NOH

详细说明

MP Biomedicals - 05202005

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 473235

包装
2 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 471593

包装
100, 500 mL in glass bottle
2 L in glass bottle

参考文献

• Reagent for selective reduction of quinones to hydroquinones: Tetrahedron Lett., 1695 (1975).
• Perfluoroalkenes undergo a novel epoxidation with the reagent at room temperature: Chem. Commun., 763 (1996).