2-Chlorethyldimethylamin

2-Chloro-N,N-dimethylethylamine

HCID 7901CAS 107-99-3

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Grundinformationen

Standard-SMILES: CN(C)CCCl
InChIKey: WQMAANNAZKNUDL-UHFFFAOYSA-N
Summenformel: C4H10ClN
Durchschnittliche Molmasse: 107,58 g/mol
Monoisotopische Masse: 107,050177

Überblick

2-dimethylaminoethyl chloride is a tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom. It is an organochlorine compound and a tertiary amino compound. It is a conjugate base of a 2-dimethylammonioethyl chloride.

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-N,N-dimethylethylamine
IUPAC: 2-chloro-N,N-dimethylethanamine
Lokaler Name: 2-Chlorethyldimethylamin
Englischer Name: 2-Chloroethyldimethylamine
Summenformel: C4H10ClN
Molmasse: 107.58

Namen und Synonyme

107-99-3(2-Chloroethyl)dimethylamineDimethylaminoethyl chlorideEthanamine, 2-chloro-N,N-dimethyl-2-ChloroethyldimethylamineChloro(dimethylamino)ethaneN,N-Dimethylaminoethyl chloride2-Dimethylaminoethylchloride2-(Dimethylamino)ethyl chloride2-chloro-N,N-dimethylethylamineCCRIS 5796N,N-Dimethyl(2-chloroethyl)amine

Weitere Namen anzeigen

2-chloro-N,N-dimethylethan-1-amine2-Chloro-N,N-dimethylethanamineN-(2-Chloroethyl)-N,N-dimethylamine181019Chlorphenamine Impurity 1Dimethylaminochloroethaneβ-ChloroethyldimethylamineDIMETHYL2-CHLOROETHYLAMINE

ETHYLAMINE, 2-CHLORO-N,N-DIMETHYL-EINECS 203-540-79UK81G2OHJBRN 0605280DTXSID20593564-04-00-00444 (Beilstein Handbook Reference)NSC-1917NSC-123444

Datenbank-Bezeichner

CAS: 107-99-3
PubChem CID: 7901
DTXSID: DTXSID2059356
ChEMBL: CHEMBL3580424
ChEBI: CHEBI:78155
UNII: 9UK81G2OHJ
EC Number: 203-540-7
Nikkaji: J26.199H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 28,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Siedepunkt: 160.72 °C · 160.72°C (rough estimate)
Dichte: 0.9903 · 0.9903 (rough estimate)
Brechungsindex: 1.532 · 1.5320 (estimate)
pka: 8.4 · 8.40±0.28(Predicted)
LogP: 0.78 · 0.78
EPA chemische Informationen: 2 · Ethanamine, 2-chloro-N,N-dimethyl- (107-99-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.