sodium 2,2-diethyl-1-nitrosohydrazin-1-olate hydrate

• ChemBase编号: 155397
• 分子式: C4H12N3NaO3
• 平均质量: 173.14615
• 单一同位素质量: 173.07763554
• SMILES: CCN(CC)N(N=O)[O-].O.[Na+]
• Canonical SMILES: CCN(N(N=O)[O-])CC.O.[Na+]
• InChI: InChI=1S/C4H10N3O2.Na.H2O/c1-3-6(4-2)7(9)5-8;;/h3-4H2,1-2H3;;1H2/q-1;+1
• InChIKey: BVCZSYKIXSAMOT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium 2,2-diethyl-1-nitrosohydrazin-1-olate hydrate
• IUPAC传统名: sodium dea-no hydrate
• 别名: DEA NONOate 钠盐 水合物; 2-(N,N-二乙基氨基)-二氮烯-2-氧 钠盐 水合物; 1,1-Diethyl-2-hydroxy-2-nitroso-hydrazine sodium; 2-(N,N-Diethylamino)-diazenolate 2-oxide sodium salt hydrate; Diethylamine/nitric oxide complex sodium salt hydrate; DEA NONOate sodium salt hydrate; Diethylamine NONOate sodium salt hydrate

登记号

• MDL号: MFCD11045976
• PubChem SID: 162249535; 24893276
• PubChem CID: 71312126

理论计算性质

• Acid pKa: 12.965731
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.17092589
• LogD (pH = 7.4): 0.17098834
• Log P: 0.17099033
• 摩尔折射率: 33.4906 cm^3
• 极化性: 12.413765 Å^3
• 极化表面积: 58.97 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: >10 mg/mL; methanol: >25 mg/mL
• 外观: white crystalline
• 熔点: 45 °C(lit.)

安全信息

• 保存条件: desiccated; protect from light
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97% (NMR)
• 运输包装: dry ice
• 线性分子式: (CH3CH2)2N-N(N=O)O- Na+ xH2O

详细说明

Sigma Aldrich - D184

Biochem/physiol Actions
Diethylamine NONOate is a complex of diethylamine with nitric oxide used to generate a controlled release of nitric oxide in solution.