({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride

• ChemBase编号: 68131
• 分子式: C8H18ClN3
• 平均质量: 191.70162
• 单一同位素质量: 191.11892527
• SMILES: C(CCN(C)C)N=C=NCC.Cl
• Canonical SMILES: CCN=C=NCCCN(C)C.Cl
• InChI: InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
• InChIKey: FPQQSJJWHUJYPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride; (3-{[(ethylimino)methylidene]amino}propyl)dimethylamine hydrochloride
• IUPAC传统名: ({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride; (3-{[(ethylimino)methylidene]amino}propyl)dimethylamine hydrochloride
• 别名: 1-(3-二甲基氨丙基)-3-乙基碳二酰亚胺, 盐酸盐; N-乙基-N′-(3-二甲基氨丙基)碳二亚胺 盐酸盐; EDC 盐酸盐; WSC 盐酸盐; 1-(3-二甲氨基丙基)-3-乙基碳二亚胺 盐酸盐; N1-((Ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochloride; N-ETHYL-N'-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE HYDROCHLORIDE; EDCI; 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; (3-Dimethylamino-propyl)-ethyl-carbodiimide Hydrochloride, EDC HCl, EDAC, EDCI,Water Soluble Carbodiimide.; N-Ethyl-N'-(3-dimethylaminopropyl)carbodimide, Hydrochloride; EDAC; N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride; EDC; EDAC HCl; N-Ethyl-N'-(3-dimethylaminopropyl) carbodiimide hydrochlrodie; WSC HCl; N-Ethyl-N'-(3-dimethylaminopropyl)carbodiimide hydrochloride; 1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE HYDROCHLORIDE; N-Ethyl-N′-(3-dimethylaminopropyl)carbodiimide hydrochloride; WSC hydrochloride; EDC hydrochloride; N,N-Dimethyl-3-{[(ethylimino)methylidene]amino}propylamine hydrochloride; N-[3-(Dimethylamino)prop-1-yl]-N'-ethylcarbodiimide hydrochloride

登记号

• CAS号: 25952-53-8
• EC号: 247-361-2
• MDL号: MFCD00012503
• Beilstein号: 5764110
• PubChem SID: 24894433; 24894627; 24894654; 162033863
• PubChem CID: 2723939

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.7715313
• LogD (pH = 7.4): -1.5289264
• Log P: 0.62913024
• 摩尔折射率: 47.9251 cm^3
• 极化性: 18.138767 Å^3
• 极化表面积: 27.96 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≤100 mg/mL; H2O: soluble0.5 M, clear, colorless; Methanol; Water
• 外观: crystalline; powder; White Solid
• 熔点: 110-115 °C; 110-115 °C(lit.); 110-115°C; 111-115°C; 112-114°C; ca 113°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere; 2-8°C, Desiccate
• 保存注意事项: Harmful/Irritant/Corrosive/Moisture Sensitive/Store at -20°C/Store under Argon; IRRITANT; Moisture Sensitive
• RTECS编号: FF2200000
• 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; 37/38-41
• 安全公开号: 26-36/37/39; 26-37-60
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335; H315-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (AT); 95+%; 97%; 98%; 98+%
• 级别: commercial grade; for protein sequence analysis; purum
• 燃烧残渣: ≤0.1%
• 杂质: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: sulfate (SO42-): ≤0.05%
• 产品质量级别: PREMIUM
• Empirical Formula (Hill Notation): C8H17N3 · HCl

详细说明

MP Biomedicals - 05220944

Hydrochloride
Crystalline Powder
Assay: 99~101%
Water soluble peptide coupling agent and bioconjugation reagent. Also used to modify proteins and cross-link protein to DNA.

MP Biomedicals - 02150936

Hydrochloride
Crystalline Powder
Assay: 99~101%
Water soluble peptide coupling agent and bioconjugation reagent. Also used to modify proteins and cross-link protein to DNA.

Sigma Aldrich - 03451

Other Notes
在有利于选择性活化末端羧基1的情况下，活化肽并偶联到固体载体上
Biochem/physiol Actions
水溶性缩合剂。常用作酰胺与伯胺键合的羧基活化剂。此外，它可与磷酸基团反应。可用于例如肽合成；蛋白质和核酸的交联；以及免疫交联物的制备。通常，在无缓冲液的条件下，其工作 pH 范围为 4.0-6.0。应特别避免胺和羧酸盐缓冲液。

Sigma Aldrich - 03450

Biochem/physiol Actions
水溶性缩合剂。常用作酰胺与伯胺键合的羧基活化剂。此外，它可与磷酸基团反应。可用于例如肽合成；蛋白质和核酸的交联；以及免疫交联物的制备。通常，在无缓冲液的条件下，其工作 pH 范围为 4.0-6.0。应特别避免胺和羧酸盐缓冲液。

Sigma Aldrich - E1769

Biochem/physiol Actions
水溶性缩合剂。常用作酰胺与伯胺键合的羧基活化剂。此外，它可与磷酸基团反应。可用于例如肽合成；蛋白质和核酸的交联；以及免疫交联物的制备。通常，在无缓冲液的条件下，其工作 pH 范围为 4.0-6.0。应特别避免胺和羧酸盐缓冲液。

Sigma Aldrich - E7750

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
1, 5 kg in poly drum
1, 5, 10, 25, 100 g in poly bottle
100 mg in poly bottle
Biochem/physiol Actions
水溶性缩合剂。常用作酰胺与伯胺键合的羧基活化剂。此外，它可与磷酸基团反应。可用于例如肽合成；蛋白质和核酸的交联；以及免疫交联物的制备。通常，在无缓冲液的条件下，其工作 pH 范围为 4.0-6.0。应特别避免胺和羧酸盐缓冲液。

Sigma Aldrich - E6383

Biochem/physiol Actions
水溶性缩合剂。常用作酰胺与伯胺键合的羧基活化剂。此外，它可与磷酸基团反应。可用于例如肽合成；蛋白质和核酸的交联；以及免疫交联物的制备。通常，在无缓冲液的条件下，其工作 pH 范围为 4.0-6.0。应特别避免胺和羧酸盐缓冲液。

Toronto Research Chemicals - E916635

An enzyme inhibitor.

参考文献

• 'Water-soluble carbodiimide', widely used for peptide coupling (see Appendix 6), with the major advantage that excess reagent and the urea by-product can be easily removed by washing with dilute acid or water: J. Org. Chem., 26, 2525 (1961); J. Am. Chem. Soc., 87, 2492 (1965). For discussion of the mechanism of peptide coupling with this reagent, see: J. Am. Chem. Soc., 103, 7090 (1981).
• Often used in conjunction with an additive such as HOBt (1-hydroxybenzotriazole hydrate) to suppress racemization; see, for example: Bull. Chem. Soc. Jpn., 55, 2165 (1982). A two-phase solvent system (dichloromethane-water or isopropyl acetate-water) has been found to give superior results in this type of peptide coupling: J. Org. Chem., 60, 3569 (1995). In a comparative study, submolar quantities HOBt in DMF-water gave good results: Chem. Lett., 1 (1997).
• For use in the synthesis of cyclic derivatives of 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates, see: Angew. Chem. Int. Ed., 33, 1394 (1994).
• Promotes various other N-acylation reactions such as the formation of N-acylsulfonamides from primary sulfonamides and N-protected amino acids in the presence of DMAP: Synlett, 1141 (1995).
• For use in the acylation of phosphoranes, see (Cyanomethyl)triphenylphosphonium chloride, A13096.