N-(diethylamino)-N-nitrosohydroxylamine; diethylamine

• ChemBase编号: 130660
• 分子式: C8H22N4O2
• 平均质量: 206.28588
• 单一同位素质量: 206.17427596
• SMILES: CCNCC.CCN(CC)N(N=O)O
• Canonical SMILES: CCN(N(N=O)O)CC.CCNCC
• InChI: InChI=1S/C4H11N3O2.C4H11N/c1-3-6(4-2)7(9)5-8;1-3-5-4-2/h9H,3-4H2,1-2H3;5H,3-4H2,1-2H3
• InChIKey: LBJLVZKEUWCGIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(diethylamino)-N-nitrosohydroxylamine; diethylamine
• IUPAC传统名: N-(diethylamino)-N-nitrosohydroxylamine; diethylamine
• 别名: 2-(N,N-二乙基氨基)-二氮烯-2-氧 二乙铵盐; DEA NONOate; DEA/NO diethylammonium salt; Diethylamine NONOate diethylammonium salt; Diethylamine (nitric oxide) Adduct

登记号

• CAS号: 56329-27-2; 372965-00-9
• MDL号: MFCD00216152
• PubChem SID: 162224938
• PubChem CID: 9920715

理论计算性质

• Acid pKa: 12.965731
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.17092589
• LogD (pH = 7.4): 0.17098834
• Log P: 0.17099033
• 摩尔折射率: 34.6123 cm^3
• 极化性: 12.69744 Å^3
• 极化表面积: 56.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: White Solid
• 熔点: 78-79°C

安全信息

• 保存条件: -86°C Freezer
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-37/38-41
• 安全公开号: 26-39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -70°C

产品相关信息

• 纯度: ≥98%
• 运输包装: dry ice
• t1/2: 16 minphosphate buffer, 22 °C; 16 minphosphate buffer, 22 °C (NO release)

详细说明

Sigma Aldrich - D5431

Biochem/physiol Actions
NO 供体
包装
50 mg in glass bottle
Application
Used as:
• Reagent for reductive nitrosylation of Wilkinson′s catalyst1
• Nitric oxide (NO) donor2

Toronto Research Chemicals - D443500

A reagent which releases Nitric Oxide into aqueous solutions at controlled rates for in vitro studies.