2-Aminoethyl(ethyl)amin

N-Ethylethylenediamine

HCID 66071CAS 110-72-5

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Grundinformationen

Standard-SMILES: CCNCCN
InChIKey: SCZVXVGZMZRGRU-UHFFFAOYSA-N
Summenformel: C4H12N2
Durchschnittliche Molmasse: 88,15 g/mol
Monoisotopische Masse: 88,10004838

Namen und Bezeichner

Bevorzugter Name: N-Ethylethylenediamine
IUPAC: N'-ethylethane-1,2-diamine
Lokaler Name: 2-Aminoethyl(ethyl)amin
Englischer Name: 2-Aminoethyl(ethyl)amine
Summenformel: C4H12N2
Molmasse: 88.15

Namen und Synonyme

N-Ethylethylenediamine2-Aminoethyl(ethyl)amine1,2-Ethanediamine, N-ethyl-2-EthylaminoethylamineN-Ethyl ethylenediamine1,2-Ethanediamine, N1-ethyl-2-(ethylamino)ethylamineN-EthylenediamineN-(2-aminoethyl)ethylamineEINECS 203-795-4UNII-941MVD708NCCRIS 8925

Weitere Namen anzeigen

N1-ethylethane-1,2-diaMineEAEAEthylethylenediamineN,N-Dimethyl-N’ETHYLAMINO ETHYLAMINEN-ETHYLETHYLENDIAMINEN-EthylethylnediaMine

1-ethylethylenediamineAI3-26672941MVD708Nn-ethyl-1,2-diaminoethaneETHYLETHYLENEDIAMINE, N-DTXSID8059390RefChem:163347DTXCID1033165

Datenbank-Bezeichner

CAS: 110-72-5
PubChem CID: 66071
DTXSID: DTXSID8059390
ChEMBL: CHEMBL70445
UNII: 941MVD708N
EC Number: 203-795-4
Nikkaji: J25.749D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 6
Formalladung: 0
Komplexität: 21,5

Physikochemische Eigenschaften

Schmelzpunkt: 1.63 °C · 1.63°C (estimate)
Siedepunkt: 128 · 128-130 °C (lit.)
Dichte: 0.837 g/mL · 0.837 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.439(lit.)
Flammpunkt: 50 °F · 50 °F
storage temp.: Flammables area
Wasserlöslichkeit: Completely soluble in water
pka: 1 · pK1:7.63(+2);pK2:10.56(+1) (25°C)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly brown
BRN: 1098272 · 1098272
InChI: 1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
InChIKey: SCZVXVGZMZRGRU-UHFFFAOYSA-N
SMILES: CCNCCN
CAS Datenbank: 110 · 110-72-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,2-Ethanediamine, N-ethyl-(110-72-5)
EPA chemische Informationen: 1 · 1,2-Ethanediamine, N-ethyl- (110-72-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 45.1% (37 of 82) of reports.

Danger

H225 (48.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (48.8%)

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
hs_code: 29212900
risk_code: 10-34-43-11
hazard_code: C,F
hazard_note: Flammable/Corrosive
safety_code: 26-36/37/39-45-25-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2Resp. Sens. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,2-Ethanediamine, N1-ethyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-Ethylethylenediamine is a chelating agent used in mutagenesis research studies. It undergoes condensation with 2-hydroxy-3-methoxybenzaldehyde. It also forms organometallic ruthenium(II) complexes that inhibit the growth in human ovarian cancer cell lines.