CAS 25952-53-8|N1-((Ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochloride|({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine hydrochloride|({[3-(dimethylamino)propyl]imino}met...

General Information

Structure

Molecular Formula

C₈H₁₈ClN₃

Molecular Mass

191.70162

Exact Mass

191.11892527

Charge

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

Canonic Smiles

CCN=C=NCCCN(C)C.Cl

Isomeric Smiles

C(CCN(C)C)N=C=NCC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.7715313

LogD (pH = 7.4)

-1.5289264

Log P

0.62913024

Molar Refractivity

47.9251

Polarizability

18.138767

Polar Surface Area

27.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

PubChem

2723939

Data Source

Names and Identifiers

Synonyms

N1-((Ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochlorideN-乙基-N′-(3-二甲基氨丙基)碳二亚胺盐酸盐N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide hydrochlorideEDC 盐酸盐EDAC1-(3-二甲氨基丙基)-3-乙基碳二亚胺盐酸盐WSC 盐酸盐N-[3-(Dimethylamino)prop-1-yl]-N'-ethylcarbodiimide hydrochlorideN,N-Dimethyl-3-{[(ethylimino)methylidene]amino}propylamine hydrochlorideEDC hydrochlorideEDAC HClEDCN-Ethyl-N'-(3-dimethylaminopropyl) carbodiimide hydrochlrodieWSC HClN-ETHYL-N'-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE HYDROCHLORIDE1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE HYDROCHLORIDEN-Ethyl-N'-(3-dimethylaminopropyl)carbodiimide hydrochlorideN-Ethyl-N′-(3-dimethylaminopropyl)carbodiimide hydrochlorideWSC hydrochloride(3-Dimethylamino-propyl)-ethyl-carbodiimide Hydrochloride, EDC HCl, EDAC, EDCI,Water Soluble Carbodiimide.N-Ethyl-N'-(3-dimethylaminopropyl)carbodimide, HydrochlorideEDCI1-(3-二甲基氨丙基)-3-乙基碳二酰亚胺, 盐酸盐1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem CID

PubChem SID

248946541620338632489462724894433

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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.

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.

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。

E6383

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。

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.

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.

TRC

E916635

An enzyme inhibitor.

Molecule Details

References

PubChem Literature

From Data Sources

• For use in the acylation of phosphoranes, see (Cyanomethyl)triphenylphosphonium chloride, A13096.

• '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).

• 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 synthesis of cyclic derivatives of 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates, see: Angew. Chem. Int. Ed., 33, 1394 (1994).

References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• CAS Number

• MDL Number

• EC Number

• Beilstein Number

• PubChem CID

• PubChem SID

Registration numbers

Properties

• Safety Information

• Product Information

• Physical Property

Related Proteins

Molecular Spectra

Molecule Details

• MP Biomedicals

• Sigma Aldrich

• TRC

References

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Academic Data

PubChem

2723939

Synonyms

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

CAS Number

MDL Number

Beilstein Number

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.

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.

Sigma Aldrich

E1769

E6383

E7750

03451

03450

TRC

E916635

An enzyme inhibitor.

From Data Sources

• For use in the acylation of phosphoranes, see (Cyanomethyl)triphenylphosphonium chloride, A13096.

• 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 synthesis of cyclic derivatives of 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates, see: Angew. Chem. Int. Ed., 33, 1394 (1994).

Safety Information

Storage Warning

IRRITANT

Harmful/Irritant/Corrosive/Moisture Sensitive/Store at -20°C/Store under Argon

Moisture Sensitive

RTECS

FF2200000

Storage Condition

2-8°C, Desiccate

-20°C Freezer, Under Inert Atmosphere

GHS Hazard statements

H315-H318-H335

H315-H319-H335

Risk Statements

37/38-41

36/37/38

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Signal Word

Danger

European Hazard Symbols

Irritant (Xi)

Storage Temperature

-20°C

Safety Statements

26-36/37/39

26-37-60

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

German water hazard class

Product Information

Physical Property

Molecule

ID:68131