32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine

• ChemBase编号: 152413
• 分子式: C22H46N4O10
• 平均质量: 526.62144
• 单一同位素质量: 526.32139369
• SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
• Canonical SMILES: NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C22H46N4O10/c23-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-25-26-24/h1-23H2
• InChIKey: RMNAJNJBCBFOKX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine
• IUPAC传统名: 32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine
• 别名: 叠氮-PEG-胺（聚合度为 10）; O-(2-氨基乙基)-O′-(2-叠氮乙基)九聚乙二醇; Azido-PEG-amine (n=10); O-(2-Aminoethyl)-O′-(2-azidoethyl)nonaethylene glycol; 32-Azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine; O-(2-Aminoethyl)-O-(2-azidoethyl)nonaethylene Glycol

登记号

• CAS号: 912849-73-1
• MDL号: MFCD03453246
• PubChem SID: 162246558; 24887231
• PubChem CID: 4093966

理论计算性质

• 质子受体: 13
• 质子供体: 1
• LogD (pH = 5.5): -4.0621214
• LogD (pH = 7.4): -3.086433
• Log P: -0.96497154
• 摩尔折射率: 132.9386 cm^3
• 极化性: 52.17001 Å^3
• 极化表面积: 147.75 Å^2
• 可自由旋转的化学键: 32
• 里宾斯基五规则: false

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: 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): C22H46N4O10

详细说明

Sigma Aldrich - 77787

包装
500 mg in poly bottle

Toronto Research Chemicals - A608835

Reagent used in the construction of intramolecular linkers

参考文献

• Chan, Mi Bioconjug. Chem., 20, 1194 (2009)