N,N'-Diethylethylendiamin

N,N'-Diethylethylenediamine

HCID 67105CAS 111-74-0

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Grundinformationen

Standard-SMILES: CCNCCNCC
InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
Summenformel: C6H16N2
Durchschnittliche Molmasse: 116,2 g/mol
Monoisotopische Masse: 116,13134851

Überblick

N,N'-diethylethylenediamine is a diazaalkane consisting of octane having the two aza groups at the 3- and 6-positions.

Namen und Bezeichner

Bevorzugter Name: N,N'-Diethylethylenediamine
IUPAC: N,N'-diethylethane-1,2-diamine
Lokaler Name: N,N'-Diethylethylendiamin
Englischer Name: N,N'-Diethylethylenediamine
Summenformel: C6H16N2
Molmasse: 116.2

Namen und Synonyme

N,N'-Diethylethylenediamine111-74-0N,N'-diethylethane-1,2-diamine1,2-Bis(ethylamino)ethane3,6-diazaoctane1,2-Ethanediamine, N1,N2-diethyl-EINECS 203-902-4n,n'-diethyl-1,2-ethanediamineAI3-26637N,N'-Diethyl-1,2-diaminoethaneDTXSID0059409CHEBI:182290

Weitere Namen anzeigen

N1,N2-diethylethane-1,2-diaMineDEENN,N'-diethyldiamineN,N'-DiethylethyleneN,N'-Ethylenediethyldiamine

RefChem:821901DTXCID0033205203-902-41,2-Ethanediamine, N,N'-diethyl-ethyl[2-(ethylamino)ethyl]amineMFCD00009033SCHEMBL80292Ethylenediamine, N,N'-diethyl-

Datenbank-Bezeichner

CAS: 111-74-0
PubChem CID: 67105
DTXSID: DTXSID0059409
ChEMBL: CHEMBL54723
ChEBI: CHEBI:182290
UNII: M65DE5KU8F
EC Number: 203-902-4
Nikkaji: J150.839C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 31,5

Physikochemische Eigenschaften

Schmelzpunkt: -7.15 °C · -7.15°C (estimate)
Siedepunkt: 152 · 152-154 °C(lit.)
Dichte: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4326(lit.)
Flammpunkt: 92 °F · 92 °F
storage temp.: 2 · 2-8°C, protect from light
pka: 11.17 · 11.17±0.19(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Miscible with water.
Stabilität: Stable. Flammable. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents. Absorbs, and reacts with, carbon dioxide in the air.
InChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
SMILES: C(NCC)CNCC
LogP: 0.21 · 0.210
CAS Datenbank: 111 · 111-74-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,2-Ethanediamine, N,N'-diethyl-(111-74-0)
EPA chemische Informationen: 1 · 1,2-Ethanediamine, N,N'-diethyl- (111-74-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2685 8/PG 2
hs_code: 29212900
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,2-Ethanediamine, N1,N2-diethyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN,N'-Diethylethylenediamine is used as an internal standard in liquid chromatographic method used for checking the assay of ethambutol. It is utilized for the solvation of lithium hexamethyldisilazide. It acts as a ligand and form coordination complexes such as trans-diaquabis(N,N'-diethylethylenediamine)nickel(II) chloride and copper(II)-N,N-Diethylethylenediamine, which shows thermochromic properties. Further, it is used as a pharmaceutical intermediate used in the synthesis of procainamide hydrochloride, tiapride and cinchocaine.