2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-olate

• ChemBase编号: 154032
• 分子式: C10H18NO4P
• 平均质量: 247.227981
• 单一同位素质量: 247.09734469
• SMILES: CC1(COP(=O)(OC1)C1(CCC=[N+]1[O-])C)C
• Canonical SMILES: CC1(CCC=[N+]1[O-])P1(=O)OCC(CO1)(C)C
• InChI: InChI=1S/C10H18NO4P/c1-9(2)7-14-16(13,15-8-9)10(3)5-4-6-11(10)12/h6H,4-5,7-8H2,1-3H3
• InChIKey: OSKIWEPJAIOTFB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5,5-dimethyl-2-oxo-1,3,2λ^5-dioxaphosphinan-2-yl)-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-olate
• IUPAC传统名: 2-(5,5-dimethyl-2-oxo-1,3,2λ^5-dioxaphosphinan-2-yl)-2-methyl-3,4-dihydropyrrol-1-ium-1-olate
• 别名: 2-(5,5-Dimethyl-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-2-methyl-3,4-dihydro-2H-pyrrole 1-oxide; 5-(2,2-Dimethyl-1,3-propoxy cyclophosphoryl)-5-methyl-1-pyrroline N-oxide; CYPMPO

登记号

• CAS号: 934182-09-9
• MDL号: MFCD11045266
• PubChem SID: 162248171
• PubChem CID: 16046145

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.34505665
• LogD (pH = 7.4): 0.34505665
• Log P: 0.34505665
• 摩尔折射率: 61.095 cm^3
• 极化性: 23.686356 Å^3
• 极化表面积: 64.28 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97%; ≥97% (HPLC)
• 级别: for ESR-spectroscopy
• Empirical Formula (Hill Notation): C10H18NO4P

详细说明

Sigma Aldrich - 01872

Application
CYPMPO is designed for radical detection. It is a free radical spin trap with excellent trapping capabilites toward hydroxyl and superoxide radicals in biological and chemical systems.