20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine

• ChemBase编号: 152410
• 分子式: C14H30N4O6
• 平均质量: 350.4112
• 单一同位素质量: 350.2165347
• SMILES: C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
• Canonical SMILES: NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C14H30N4O6/c15-1-3-19-5-7-21-9-11-23-13-14-24-12-10-22-8-6-20-4-2-17-18-16/h1-15H2
• InChIKey: VCQSTKKJKNUQBI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine
• IUPAC传统名: 20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine
• 别名: 叠氮-PEG-胺（聚合度为 6）; O-(2-氨基乙基)-O′-(2-叠氮乙基)戊乙二醇; Azido-PEG-amine (n=6); O-(2-Aminoethyl)-O′-(2-azidoethyl)pentaethylene glycol; 20-Azido-3,6,9,12,15,18-hexaoxaeicosan-1-amine; O-(2-Aminoethyl)-O'-(2-azidoethyl)pentaethylene Glycol

登记号

• CAS号: 957486-82-7
• MDL号: MFCD03453240
• PubChem SID: 162246555; 24886955
• PubChem CID: 4093707

理论计算性质

• 质子受体: 9
• 质子供体: 1
• LogD (pH = 5.5): -3.8742192
• LogD (pH = 7.4): -2.898531
• Log P: -0.7770695
• 摩尔折射率: 88.7646 cm^3
• 极化性: 34.598118 Å^3
• 极化表面积: 110.83 Å^2
• 可自由旋转的化学键: 20
• 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: 26-36
• 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: Eyeshields, 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

• 纯度: ≥90% (oligomer purity)
• Empirical Formula (Hill Notation): C14H30N4O6

详细说明

Sigma Aldrich - 76172

包装
500 mg in poly bottle

Toronto Research Chemicals - A608855

A heterobifunctional polyethyleneglycol (PEG) derivative used in the preparation low-fouling, biofunctionalized, and biodegradable click capsules; a useful reagent used in the construction of intramolecular linkers.

参考文献

• Ochs, C. et al.: Biomacromol., 9, 3389 (2008)
• Breurken, M. et al.: ChemBioChem, 11, 1665 (2008)