HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diamin
EDCI · EDAC · 1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE · WSCI · WSCD · N1-((EthyliMino)Methylene)-N3,N3-diMethylpropane-1,3-diaMine · ({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine · 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
Identifikatoren & physikalische Daten
| CAS No. | 1892-57-5 |
|---|---|
| Summenformel | C8H17N3 |
| Durchschnittliche Molmasse | 155,24 g/mol |
| Monoisotopische Masse | 155,14224754 g/mol |
| SMILES | CCN=C=NCCCN(C)C |
| InChIKey | LMDZBCPBFSXMTL-UHFFFAOYSA-N |
| PubChem CID | 15908 |
| ChEMBL | CHEMBL1397523 |
| EC No. | 217-579-2 |
| DTXSID | DTXSID60865258 |
| Lokaler Name | N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 28 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 134 |
| Stoffklassen | Other Uses -> Biochemical Research |
| Physical Description | Liquid[Merck Index] Colorless to pale yellow liquid[Alfa Aesar MSDS] |
| Siedepunkt | 66-68°C/1mm |
| Dichte | 0.877 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.461 |
| Flammpunkt | 66-68°C/1mm |
| Lagerbedingungen | -20°C |
| Löslichkeit | ChloroformSoluble in water. |
| pKa (Säurekonstante) | 9.52±0.28(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 0.885 |
| Farbe | Colorless to slightly yellow |
| BRN | 507429 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3 |
| InChIKey | LMDZBCPBFSXMTL-UHFFFAOYSA-N |
| SMILES | CCN=C=NCCCN(C)C |
| CAS Datenbank | 1892-57-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Propanediamine, n'-(ethylcarbonimidoyl)-n,n-dimethyl-(1892-57-5) |
| EPA chemische Informationen | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl- (1892-57-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (32.3%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Corrosive[Merck Index] Causes burns[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (32.3%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 1-3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29252900 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1ASTOT RE 2 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide is used as a carboxyl activating agent and activate phosphate groups in phospho mono and di esters. It is used in peptide synthesis, 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates and in the preparation of antibodies like immunoconjugates. It plays a vital role for immobilization of large biomolecules in association with N-hydroxysuccinimide. It is also used in the acylation of phosphoranes.