6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol

• ChemBase编号: 141680
• 分子式: C20H42N2O4Si2
• 平均质量: 430.72948
• 单一同位素质量: 430.2683109
• SMILES: CC(C)(C)[Si](C)(C)OCC1C(N1)C1N2C(C2C(O1)O)CO[Si](C)(C)C(C)(C)C
• Canonical SMILES: OC1OC(N2C1C2CO[Si](C(C)(C)C)(C)C)C1NC1CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C20H42N2O4Si2/c1-19(2,3)27(7,8)24-11-13-15(21-13)17-22-14(16(22)18(23)26-17)12-25-28(9,10)20(4,5)6/h13-18,21,23H,11-12H2,1-10H3
• InChIKey: TVJBDLSJTDKBNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
• IUPAC传统名: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
• 别名: 6-[(叔丁基二甲基硅氧基)甲基]-2-[3-[(叔丁基二甲基硅氧基)甲基]-2-氮丙啶基]-3-氧杂-1-氮杂双环[3.1.0]己烷-4-醇; 3-[(叔丁基二甲基硅氧基)甲基]氮杂环丙烷-2-甲醛二聚物; 6-[(tert-Butyldimethylsilyloxy)methyl]-2-[3-[(tert-butyldimethylsilyloxy)methyl]-2-aziridinyl]-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol; 3-[(tert-Butyldimethylsilyloxy)methyl]aziridine-2-carboxaldehyde dimer

登记号

• CAS号: 919101-35-2
• PubChem SID: 162235914
• PubChem CID: 71310679

理论计算性质

• Acid pKa: 11.73678
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 3.359223
• LogD (pH = 7.4): 3.5290222
• Log P: 3.5317
• 摩尔折射率: 104.5781 cm^3
• 极化性: 47.009136 Å^3
• 极化表面积: 72.87 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 149 °F; 65 °C
• 密度: 0.953 g/mL at 25 °C
• 折射率: n20/D 1.456

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: 37/38-41-42/43
• 安全公开号: 23-26-36/37/39-45
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H317-H318-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

产品相关信息

• Empirical Formula (Hill Notation): C20H42N2O4Si2

详细说明

Sigma Aldrich - 695513

包装
1 g in glass bottle
250 mg in glass bottle