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

• ChemBase ID: 68131
• Molecular Formular: C8H18ClN3
• Molecular Mass: 191.70162
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride; (3-{[(ethylimino)methylidene]amino}propyl)dimethylamine hydrochloride
• IUPAC Traditional name: ({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride; (3-{[(ethylimino)methylidene]amino}propyl)dimethylamine hydrochloride
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.7715313
• LogD (pH = 7.4): -1.5289264
• Log P: 0.62913024
• Molar Refractivity: 47.9251 cm^3
• Polarizability: 18.138767 Å^3
• Polar Surface Area: 27.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere; 2-8°C, Desiccate
• Storage Warning: Harmful/Irritant/Corrosive/Moisture Sensitive/Store at -20°C/Store under Argon; IRRITANT; Moisture Sensitive
• RTECS: FF2200000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 37/38-41
• Safety Statements: 26-36/37/39; 26-37-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (AT); 95+%; 97%; 98%; 98+%
• Grade: commercial grade; for protein sequence analysis; purum
• Ignition Residue: ≤0.1%
• Impurities: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: 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%
• Antion Traces: sulfate (SO42-): ≤0.05%
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C8H17N3 · HCl

DETAILS

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
Peptide activation and coupling to solid supports under conditions favouring selective activation of the terminal carboxyl group1
Biochem/physiol Actions
Water soluble condensing reagent. EDAC is generally utilized as a carboxyl activating agent for amide bonding with primary amines. In addition, it will react with phosphate groups. EDAC has been used in peptide synthesis; crosslinking proteins to nucleic acids; and preparation of immunoconjugates as examples. Typically, EDAC is utilized in the pH range 4.0-6.0 without buffers. In particular, amine and carboxylate buffers should be avoided.

Sigma Aldrich - 03450

Biochem/physiol Actions
Water soluble condensing reagent. EDAC is generally utilized as a carboxyl activating agent for amide bonding with primary amines. In addition, it will react with phosphate groups. EDAC has been used in peptide synthesis; crosslinking proteins to nucleic acids; and preparation of immunoconjugates as examples. Typically, EDAC is utilized in the pH range 4.0-6.0 without buffers. In particular, amine and carboxylate buffers should be avoided.

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.

REFERENCES

• '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.