N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민 모노염산염
N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민모노염산염 · N3-(에틸카본이미도일)-N1,N1-다이메틸-1,3-프로판다이아민,염산염(1:1) · N3-(에틸카본이미도일)-N1,N1-디메틸-1,3-프로판디아민의 염산염 (1:1) · EDCI · EDC.HCl · EDAC · WSC · EDARAVONE
식별자 및 물리적 특성
| CAS No. | 25952-53-8 |
|---|---|
| 분자식 | C8H18ClN3 |
| 평균 분자량 | 191.7 g/mol |
| 단동위원소 질량 | 191.1189253 g/mol |
| SMILES | CCN=C=NCCCN(C)C.Cl |
| InChIKey | FPQQSJJWHUJYPU-UHFFFAOYSA-N |
| PubChem CID | 2723939 |
| ChEMBL | CHEMBL1968770 |
| EC No. | 247-361-2 |
| DTXSID | DTXSID50880076 |
| 현지명 | N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민 모노염산염 |
화학 및 물리적 성질
| 극성 표면적 | 28 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| Physical Description | White powder[Aldrich MSDS] |
| 녹는점 | 110-115 °C(lit.) |
| 밀도 | 0.877 g/mL at 20 °C(lit.) |
| 증기압 | 0.002Pa at 20℃ |
| 굴절률 | n20/D 1.461 |
| 저장 조건 | -20°C |
| 용해도 | H2O: 용해성 1gm/10ml, 투명하거나 매우 약간 흐릿함, 무색 내지 매우 희미한 노란색 |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 녹는 |
| BRN | 5764110 |
| 안정성 | 안정적이지만 습기에 민감합니다. 강산, 강산화제, 습기와 호환되지 않습니다. |
| 주요 응용 | 미생물학 |
| InChI | 1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H31H |
| InChIKey | FPQQSJJWHUJYPU-UHFFFAOYSA-N |
| SMILES | Cl.CCN=C=NCCCN(C)C |
| LogP(분배 계수) | -2.98 at 25℃ |
| EPA | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride (25952-53-8) |
화학적 성질
EDC-HCl, or 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, is a white crystalline powder that easily deliquescent and can dissolve in both water and ethanol. It is commonly used as an activating reagent in amide synthesis to activate carboxyl groups. It can also activate phosphate groups, cross-link proteins and nucleic acids, and produce immunocouplers. EDC-HCl is commonly applied in the pH range of 4.0-6.0 and is often used in conjunction with N-Hydroxysuccinimide (NHS) or N-Hydroxysulfosuccinimide sodium salt to improve coupling efficiency.
안전 및 규제
| GHS 분류 | DangerH302 (73.7%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (56.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (60.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (10.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (75.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (43.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (55.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H400 (56.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (56.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 315 reports by companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideStatus: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 |
용도
일반 설명
EDC hydrochloride is a water-soluble derivative of carbodiimide useful for conjugating haptens to proteins and polypeptides. Used to modify NMDA receptors and as a condensing agent in peptide synthesis. The major advantage of EDAC coupling is the easy removal of excess reagent and the corresponding urea by washing with dilute acid or water. Carbodiimides catalyze the formation of amide bonds, carboxylic acids, and amines by activating the carboxylate to form an O-acylurea. This intermediate can be attacked by an amine directly to form an amide. EDAC is released as a soluble urea derivative.