N-[(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amino]-N-nitrosohydroxylamine

• ChemBase编号: 105674
• 分子式: C10H26N6O2
• 平均质量: 262.35244
• 单一同位素质量: 262.2117241
• SMILES: NCCCNCCCCN(CCCN)N(O)N=O
• Canonical SMILES: NCCCNCCCCN(N(N=O)O)CCCN
• InChI: InChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,18H,1-12H2
• InChIKey: QPIOUFBAROSIAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amino]-N-nitrosohydroxylamine
• IUPAC传统名: N-[(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amino]-N-nitrosohydroxylamine
• 别名: Spermine NONOate; SPER/NO; (Z)-1-[N-(3-Ammoniopropyl)-N-[4-(3-aminopropylammonio)butyl]amino]-diazen-1-ium-1,2-diolate; SPERMINE bis(NITRIC OXIDE)ADDUCT; N1-[4-[1-(3-Aminopropyl)-2-hydroxy-2-nitrosohydrazinyl]butyl]-1,3-propanediamine; Spermine Bis(NO) Adduct; Spermine Bis (Nitric Oxide) Adduct

登记号

• CAS号: 136587-13-8
• PubChem SID: 162093641
• PubChem CID: 5259

理论计算性质

• Acid pKa: 12.968816
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -10.718046
• LogD (pH = 7.4): -8.436363
• Log P: -1.8037547
• 摩尔折射率: 72.9799 cm^3
• 极化性: 28.261627 Å^3
• 极化表面积: 120.21 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: Off-White Solid
• 熔点: 105-107°C

安全信息

• 保存条件: -70°C

产品相关信息

• 纯度: ≥98%

详细说明

MP Biomedicals - 02193716

Purity: >98%
A nitric oxide donor that releases nitric oxide (NO) into aqueous solutions.

Toronto Research Chemicals - S680500

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

参考文献

• Keefer, L.K., et al., Methods in Enzymol. , 268 : 281-293, (1996).
• Maragos, C.M., et al.: J. Med. Chem., 34, 3242 (1991)