Grundinformationen
- Standard-SMILES
CCN=C=NCCCN(C)C.Cl- InChIKey
FPQQSJJWHUJYPU-UHFFFAOYSA-N- Summenformel
- C8H18ClN3
- Durchschnittliche Molmasse
- 191,7 g/mol
- Monoisotopische Masse
- 191,1189253
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
- IUPAC
- 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
- Lokaler Name
- N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diaminmonohydrochlorid
- Englischer Name
- 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
- Summenformel
- C8H18ClN3
- Molmasse
- 191.7
Namen und Synonyme
25952-53-8EDC hydrochloride1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride19W5TL0WJ41,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide hydrochlorideNSC-97064N'-(Ethylcarbonimidoyl)-N,N-dimethylpropane-1,3-diamine monohydrochlorideEDC HYDROCHLORIDE [MI]1-ethyl-3-(3'-dimethylaminopropyl)carbodiimide monohydrochlorideDTXSID508800761,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:1)
Weitere Namen anzeigen
EDCIEDC.HClEDACWSCEDARAVONE1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDEWSCIWSCDEDC.HCI1-(3-dimethylaminopropyl)-3-ethylcarbodiimide HCI (EDCI·HCl)
3-[3-(Dimethylamino)propyl]-1-ethylcarbodiimide hydrochloride3-(3-(DIMETHYLAMINO)PROPYL)-1-ETHYLCARBODIIMIDE HYDROCHLORIDE1-ethyl-3-(3-dimethylaminopropyl]carbodiimide hydrochloride1-ethyl-3-[3-dimethylaminopropyl]carbodiimide hydrochlorideRefChem:415422DTXCID7010216721(3Dimethylaminopropyl)3ethylcarbodiimide hydrochloride1Ethyl3(3dimethylaminopropyl)carbodiimide hydrochloride
Datenbank-Bezeichner
- CAS
25952-53-8、7084-11-9- PubChem CID
- 2723939
- DTXSID
DTXSID50880076- ChEMBL
CHEMBL1968770- UNII
- 19W5TL0WJ4
- EC Number
- 247-361-2
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 28 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 134
Experimentelle und physikochemische Eigenschaften
Physical DescriptionWhite powder; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 · 110-115 °C(lit.)
- Dichte
- 0.877 g/mL · 0.877 g/mL at 20 °C(lit.)
- Dampfdruck
- 0.002 Pa · 0.002Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.461
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 2 O: · H2O: soluble1 gm/10 ml, clear to very slightly hazy, colorless to very faintly yellow
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- Soluble
- BRN
- 5764110 · 5764110
- Stabilität
- Stable, but sensitive to moisture. Incompatible with strong acids, strong oxidizing agents, moisture.
- Major Application
- microbiology
- InChI
- 1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
- InChIKey
- FPQQSJJWHUJYPU-UHFFFAOYSA-N
- SMILES
- Cl.CCN=C=NCCCN(C)C
- LogP
- -2.98 at · -2.98 at 25℃
- CAS Datenbank
- 25952 · 25952-53-8(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride (25952-53-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229；Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871
N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; May cause allergic reactions in certain individuals; [Aldrich MSDS]
Hazard Classes and CategoriesAcute 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%)
Regulatorische Informationen
Regulatory Information
Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229；Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871
N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 1-3-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29252000
- RTECS-Nr.
- FF2200000
- risk_code
- 34-36/37/38-41-37/38-20/21/22
- Toxizität
- LD50 intravenous in mouse: 56mg/kg
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-37/39-36
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1STOT RE 2 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:1): ACTIVE
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