N,N-Dimethylaminoethyl chloride hydrochloride

HCID 11636816

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4584-46-7
Standard SMILES: CN(C)CCCl.Cl
InChIKey: LQLJZSJKRYTKTP-UHFFFAOYSA-N
Molecular formula: C4H11Cl2N
Average molar mass: 144.04 g/mol
Monoisotopic mass: 143.0268547

Names & identifiers

Preferred name: N,N-Dimethylaminoethyl chloride hydrochloride
IUPAC: 2-chloro-N,N-dimethylethanamine;hydrochloride

Names & synonyms

4584-46-72-Chloro-N,N-dimethylethylamine hydrochloride(2-Chloroethyl)dimethylamine hydrochloride2-(Dimethylamino)ethyl chloride hydrochlorideDimethylaminoethyl chloride hydrochlorideN,N-Dimethylaminoethyl chloride hydrochlorideN,N-Dimethyl-2-chloroethylamine hydrochlorideDTXSID70521092-Dimethylaminochloroethane hydrochlorideHE7Z9G0YMAN-(2-Chloroethyl)-N,N-dimethylammonium chloridebeta-CHLOROETHYLDIMETHYLAMINE HCl

Show more names

NSC-111230N,N-Dimethyl-N-(2-chloroethyl)amine hydrochloride2-Chloroethyl dimethyl ammonium chlorideChloro(dimethylamino)ethane hydrochlorideDimethyl(2-chloroethyl)amine hydrochlorideDTXCID9030678(2-Chloroethyl)dimethylamine monohydrochloride2-Chloroethyldimethylammonium chloride

Database identifiers

CAS: 4584-46-7
PubChem CID: 11636816
DTXSID: DTXSID7052109
ChEMBL: CHEMBL3561603
ChEBI: CHEBI:78153
UNII: HE7Z9G0YMA
EC Number: 224-970-1

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 28

Experimental & physicochemical properties

Physical DescriptionBeige hygroscopic crystals; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (69.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (31.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (74.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (69.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (69.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (67.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (30.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H373 (24.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411 (31.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+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 79 reports by companies from 22 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.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 19-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8275；Status: Active Update: 31-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12032

2-Chloroethyldimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

A moderate skin and eye irritant; Causes somnolence, ataxia, and tremor in oral lethal-dose studies of rats; Causes diffuse hepatitis in 7-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 1-Chloro-2-(diethylamine)ethane hydrochloride.

Hazard Classes and CategoriesAcute Tox. 3 (69.6%)；Acute Tox. 4 (31.6%)；Acute Tox. 3 (74.7%)；Skin Irrit. 2 (69.6%)；Eye Irrit. 2 (69.6%)；STOT SE 3 (67.1%)；Muta. 2 (30.4%)；STOT RE 2 (24.1%)；Aquatic Chronic 2 (31.6%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.71 [mg/m3]

7.9 [mg/m3]

47 [mg/m3]

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.