1,7-dimethyl heptanedicarboximidate dihydrochloride

• ChemBase编号: 103210
• 分子式: C9H20Cl2N2O2
• 平均质量: 259.1733
• 单一同位素质量: 258.09018325
• SMILES: Cl.Cl.COC(=N)CCCCCC(=N)OC
• Canonical SMILES: COC(=N)CCCCCC(=N)OC.Cl.Cl
• InChI: InChI=1S/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H
• InChIKey: LRHXBHUTQWIZTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,7-dimethyl heptanedicarboximidate dihydrochloride
• IUPAC传统名: dimethyl pimelimidate dihydrochloride
• 别名: Dimethyl pimelinediimidate 二盐酸盐; 庚二亚氨酸二甲酯 二盐酸盐; Dimethyl pimelimidate dihydrochloride; Pimelimidic acid dimethyl ester dihydrochloride; Dimethyl pimelinediimidate dihydrochloride; DMP; DIMETHYL PIMELIMIDATE DIHYDROCHLORIDE

登记号

• CAS号: 58537-94-3
• EC号: 261-320-6
• MDL号: MFCD00038942
• PubChem SID: 24887549; 24894208; 162103119
• PubChem CID: 11402688

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.97194
• LogD (pH = 7.4): 0.88480526
• Log P: 1.1862009
• 摩尔折射率: 72.36 cm^3
• 极化性: 20.154074 Å^3
• 极化表面积: 66.16 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL
• 外观: powder
• 熔点: ~122 °C (dec.); 122°C (dec.)

安全信息

• 保存条件: 0°C, Desiccate, Store Under Nitrogen
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 38
• 安全公开号: 22-24/25
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99.0% (AT)
• 线性分子式: [CH3OC(=NH)CH2CH2]2CH2 · 2HCl

详细说明

MP Biomedicals - 02150945

Dihydrochloride
Crystalline
Bifunctional cross-linking reagent.

Sigma Aldrich - D8388

Caution
The reagent is readily hydrolyzed at neutral pH.
Other Notes
Note that the amidine linkage preserves original primary amine positive charge. Incorporates a seven atom linker.
Application
Dimethyl pimelimidate dihydrochloride is a homobifunctional cross-linking reagent used in crosslinking, protein interaction and protein modification. Dimethyl pimelimidate dihydrochloride has been used to develop a technique for isolating Enterocytozoon bieneusi spores directly from human stool samples with a high degree of purity, which opens up new approaches for studying this parasite.

Sigma Aldrich - 80490

Other Notes
Cross-linking reagent for the modification of proteins via amidation1,2

参考文献

• Schneider, C., et al., J. Biol. Chem. , 257 : 10766 (1982).