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N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diaminmonohydrochlorid
EDCI · EDC.HCl · EDAC · WSC · EDARAVONE · 1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE · WSCI · WSCD
Identifikatoren & physikalische Daten
| CAS No. | 25952-53-8 |
|---|---|
| Summenformel | C8H18ClN3 |
| Durchschnittliche Molmasse | 191,7 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diaminmonohydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 28 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 134 |
| Physical Description | White powder[Aldrich MSDS] |
| Schmelzpunkt | 110-115 °C(lit.) |
| Dichte | 0.877 g/mL at 20 °C(lit.) |
| Dampfdruck | 0.002Pa at 20℃ |
| Brechungsindex | n20/D 1.461 |
| Lagerbedingungen | -20°C |
| Löslichkeit | H2O: soluble1 gm/10 ml, clear to very slightly hazy, colorless to very faintly yellow |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| BRN | 5764110 |
| Stabilität | Stable, but sensitive to moisture. Incompatible with strong acids, strong oxidizing agents, moisture. |
| Hauptanwendungen | microbiology |
| 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 (Verteilungskoeffizient) | -2.98 at 25℃ |
| CAS Datenbank | 25952-53-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride (25952-53-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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 |
| Gefahrenübersicht | A skin and strong eye irritantMay cause allergic reactions in certain individuals[Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (73.7%)Acute Tox. 3 (56.5%)Skin Irrit. 2 (100%)Skin Sens. 1 (60.6%)Eye Dam. 1 (10.2%)Eye Irrit. 2 (75.2%)STOT SE 3 (43.2%)STOT RE 2 (55.9%)Aquatic Acute 1 (56.2%)Aquatic Chronic 1 (56.5%) |
| F | 1-3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29252000 |
| RTECS-Nr. | FF2200000 |
| R-Sätze (R) | 34-36/37/38-41-37/38-20/21/22 |
| Toxizität | LD50 intravenous in mouse: 56mg/kg |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-37/39-36 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1STOT RE 2 Oral |