ol

• ChemBase编号: 148966
• 分子式: C9H19N2O
• 平均质量: 171.25996
• 单一同位素质量: 171.14973824
• SMILES: CC1(CC(C(N1[O])(C)C)CN)C
• Canonical SMILES: NCC1CC(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
• InChIKey: MMNYKXJVNIIIEG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 3-(氨基甲基)-2,2,5,5-四甲基-1-氧化吡咯烷; 3-(氨基甲基)-PROXYL; 3-Aminomethyl-2,2,5,5-tetramethylpyrrolidine-N-oxyl; 3-Aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyloxy; 3-(Aminomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy; 3-(Aminomethyl)-PROXYL

登记号

• CAS号: 54606-49-4
• MDL号: MFCD00010547
• PubChem SID: 24856359; 162243136
• PubChem CID: 3035479

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.8497024
• LogD (pH = 7.4): -2.4029536
• Log P: 0.1733291
• 摩尔折射率: 48.9503 cm^3
• 极化性: 19.823294 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Dimethyl Sulfoxide; Ethyl Acetate
• 外观: Yellow-Orange Oil
• 沸点: 128-131 °C/13 mmHg(lit.)
• 闪点: 143.6 °F; 62 °C

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-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
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C9H19N2O

详细说明

Sigma Aldrich - 270180

包装
10, 25 mg in glass bottle
Application
Useful spin label for studying biological systems.1,2 Used to study molecular diffusion into horse spleen ferritin3 and has been shown to be an effective nonthiol radioprotector.4,5Used in pharmacological studies of myeloperoxidase-mediated hypochlorous acid production inhibition6Reactant involved in:
• Reduction reactions with nitroxides7
• Synthesis of adenosine methycarboxamides for use as cardioprotectants8