1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
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
식별자 및 물리적 특성
| CAS No. | 1892-57-5 |
|---|---|
| 분자식 | C8H17N3 |
| 평균 분자량 | 155.24 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 28 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| 물질 분류 | Other Uses -> Biochemical Research |
| Physical Description | Liquid[Merck Index] Colorless to pale yellow liquid[Alfa Aesar MSDS] |
| 끓는 점 | 66-68°C/1mm |
| 밀도 | 0.877 g/mL at 20 °C (lit.) |
| 굴절률 | n20/D 1.461 |
| 인화점 | 66-68°C/1mm |
| 저장 조건 | -20°C |
| 용해도 | 클로로포름에 용해됨 |
| pKa(산도 계수) | 9.52±0.28(Predicted) |
| 물리적 상태 | 액체 |
| 비중 | 0.885 |
| 색상 | 무색~약간 노란색 |
| 용해도 | 물에 용해됩니다. |
| BRN | 507429 |
| 주요 응용 | 펩타이드 합성 |
| 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 |
| NIST | 1,3-Propanediamine, n'-(ethylcarbonimidoyl)-n,n-dimethyl-(1892-57-5) |
| EPA | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl- (1892-57-5) |
화학적 성질
Clear light yellow liquid
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 유해성 요약 | Corrosive[Merck Index] Causes burns[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (32.3%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2735 8/PG 3 |
| 관세 코드 | 29252900 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1ASTOT RE 2 Oral |
| F 고인화성물질 | 1-3-10 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
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.
일반 설명
N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide is commonly used in combination with N-hydroxysuccinimide (NHS) in carbodiimide coupling reaction to activate carboxyl group for coupling with amines to form amides.