2-Chloro-N,N-dimethylethylamine
Basic information
- CAS
107-99-3- 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
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 3.2 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanamine, 2-chloro-N,N-dimethyl-: ACTIVE
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom.
Related reactions
610 records
Compound notes
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