1-Chloro-2-(diethylamine)ethane hydrochloride

C₆H₁₅Cl₂NCAS 869-24-9172.09 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₅Cl₂N
Molar mass: 172.09 g/mol
Exact mass: 171.0582 Da
Melting point: 212 °C
logP: 1.99Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled25.7% of notifiers
H300 Fatal if swallowed97.1% of notifiers
H310 Fatal in contact with skin80% of notifiers
H314 Causes severe skin burns and eye damage60% of notifiers
H315 Causes skin irritation40% of notifiers
H318 Causes serious eye damage40% of notifiers
H330 Fatal if inhaled76.2% of notifiers
H335 May cause respiratory irritation37.1% of notifiers
H341 Suspected of causing genetic defects54.3% of notifiers
H411 Toxic to aquatic life with long lasting effects18.1% of notifiers
H412 Harmful to aquatic life with long lasting effects39% of notifiers

Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

869-24-9

SMILES

CCN(CC)CCCl.Cl

InChIKey

RAGSWDIQBBZLLL-UHFFFAOYSA-N

InChI

InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all

2-(Diethylamino)ethyl chloride hydrochloride
N,N-Diethyl-2-chloroethylamine hydrochloride
β-(Diethylamino)ethyl chloride hydrochloride
N,N-Diethyl-β-chloroethylamine hydrochloride
2-Chloro-N,N-diethylethylamine hydrochloride
1-Chloro-2-(diethylamino)ethane hydrochloride
(N,N-Diethylamino)ethyl chloride hydrochloride
2-Chlorotriethylamine hydrochloride
(2-Chloroethyl)diethylamine monohydrochloride
2-Chloroethyl-N,N-diethylamine hydrochloride
N-2-Chloroethyl-N,N-diethylammonium hydrochloride
2-Chloroethyldiethylammonium chloride
2-(Diethylamino)ethyl chloride hydrochloric acid salt
N-(2-Chloroethyl)diethylamine hydrochloride
2-(N,N-Diethylamino)ethyl chloride hydrochloride
2-Diethylaminoethyl chloride monohydrochloride
1-Chloro-2-(N,N-diethylamino)ethane hydrochloride
2-Chloro-N,N-diethylethanamine hydrochloride
Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1)
Triethylamine, 2-chloro-, hydrochloride
Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride
β-Chloroethyldiethylamine hydrochloride

Work with 1-Chloro-2-(diethylamine)ethane hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diethylaminoethyl chloride100-35-6Free base

Similar compounds

3-Chloro-N,N-diethyl-1-propanamine104-77-861 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-157 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-157 % similar Triethylamine monohydrochloride554-68-755 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-554 % similar N-(2-Chloroethyl)perhydroazepine hydrochloride26487-67-254 % similar 2-(Diethylamino)ethanol hydrochloride14426-20-152 % similar (Diethylamino)ethanethiol hydrochloride1942-52-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-2-methylpropyl(dimethyl)ammonium chloride4261-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook