2-Chloro-N,N-dimethylethylamine

HCID 7901CAS 107-99-3

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Basic information

Standard SMILES: CN(C)CCCl
InChIKey: WQMAANNAZKNUDL-UHFFFAOYSA-N
Molecular formula: C4H10ClN
Average molar mass: 107.58 g/mol
Monoisotopic mass: 107.050177

Overview

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.

Names & identifiers

Preferred name: 2-Chloro-N,N-dimethylethylamine
IUPAC: 2-chloro-N,N-dimethylethanamine
English name: 2-Chloroethyldimethylamine
Molecular formula: C4H10ClN
Molecular weight: 107.58

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 28.7

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 160.72 °C · 160.72°C (rough estimate)
Density: 0.9903 · 0.9903 (rough estimate)
refractive index: 1.532 · 1.5320 (estimate)
pka: 8.4 · 8.40±0.28(Predicted)
LogP: 0.78 · 0.78
FDA UNII: 9 UK81G2OHJ · 9UK81G2OHJ
EPA Substance Registry System: 2 · Ethanamine, 2-chloro-N,N-dimethyl- (107-99-3)
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H341-H319-H412-H315-H351-H317
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed
Toxicity: 50 unreported · LD50 unreported in rat: 30mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18565

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

tsca: TSCA listed
Toxicity: LD50 unreported in rat: 30mg/kg
Signal word: Danger
Symbol(GHS): GHS08,GHS06
Hazard statements: H301-H341-H319-H412-H315-H351-H317
REACH Registrations: Active
Precautionary statements: P201-P202-P281-P308+P313-P405-P501-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501