1,4-diethenylbenzene ethenylbenzene [4-(benzyloxy)phenyl]methyl N-[(tert-butoxy)carbonyl]carbamate

• ChemBase编号: 136729
• 分子式: C38H41NO5
• 平均质量: 591.73584
• 单一同位素质量: 591.29847342
• SMILES: CC(C)(C)OC(=O)NC(=O)OCc1ccc(cc1)OCc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• Canonical SMILES: O=C(NC(=O)OC(C)(C)C)OCc1ccc(cc1)OCc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C20H23NO5.C10H10.C8H8/c1-20(2,3)26-19(23)21-18(22)25-14-16-9-11-17(12-10-16)24-13-15-7-5-4-6-8-15;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8/h4-12H,13-14H2,1-3H3,(H,21,22,23);3-8H,1-2H2;2-7H,1H2
• InChIKey: VEDXYZYGHBJJQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-diethenylbenzene ethenylbenzene [4-(benzyloxy)phenyl]methyl N-[(tert-butoxy)carbonyl]carbamate
• IUPAC传统名: divinylbenzene styrene [4-(benzyloxy)phenyl]methyl N-(tert-butoxycarbonyl)carbamate
• 别名: StratoSpheres™ PL-IDC 亚氨基二碳酸酯王氏树脂; StratoSpheres™ PL-IDC iminodicarbonate Wang resin

登记号

• MDL号: MFCD03458602
• PubChem SID: 162230999; 24879430
• PubChem CID: 16217140

理论计算性质

• Acid pKa: 5.3752966
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.180845
• LogD (pH = 7.4): 2.8571806
• Log P: 4.5421367
• 摩尔折射率: 96.773 cm^3
• 极化性: 37.995792 Å^3
• 极化表面积: 73.86 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 颗粒大小: 50-100 mesh
• 标签扩展内容: 1.3 mmol/g typical loading loading
• Crosslinking: 1 % cross-linked

详细说明

Sigma Aldrich - 554782

法律信息
StratoSpheres 商标 Agilent Technologies, Inc.