2-Chloroethyldiisopropylammonium chloride

C₈H₁₉Cl₂NCAS 4261-68-1200.15 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₈H₁₉Cl₂N
Molar mass: 200.15 g/mol
Exact mass: 199.0895 Da
Melting point: 110 °C
logP: 2.77Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin97.9% of notifiers
H314 Causes severe skin burns and eye damage85.1% of notifiers
H315 Causes skin irritation14.9% of notifiers
H318 Causes serious eye damage17% of notifiers
H330 Fatal if inhaled89.4% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

4261-68-1

SMILES

CC(C)N(CCCl)C(C)C.Cl

InChIKey

IUSXYVRFJVAVOB-UHFFFAOYSA-N

InChI

InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H

Weigh it out

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

Names and synonyms

13 names · show all

2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)
Triethylamine, 2′′-chloro-1,1′-dimethyl-, hydrochloride
2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride
2-(Diisopropylamino)ethyl chloride hydrochloride
(β-Chloroethyl)diisopropylamine hydrochloride
N-(2-Chloroethyl)diisopropylamine hydrochloride
2-Chloroethyldiisopropylamine hydrochloride
2-Chloro-N,N-bis(isopropyl)ethanamine hydrochloride
2-(N,N-Diisopropylamino)ethyl chloride hydrochloride
N-(2-Chloroethyl)-N-isopropylpropan-2-amine hydrochloride
2-Chloro-N,N-diisopropylethylamine hydrochloride
N,N-Diisopropyl-2-Chloroethylamine hydrochloride
1-Chloro-2-diisopropylaminoethane hydrochloride

Work with 2-Chloroethyldiisopropylammonium chloride

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

Similar compounds

Dimethylaminoethyl chloride hydrochloride4584-46-748 % similar Nitrogen mustard55-86-748 % similar 1-Chloro-2-(diethylamine)ethane hydrochloride869-24-944 % similar N,N-Diisopropylethylenediamine121-05-142 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-142 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-142 % similar N,N-Diisopropylaminoethanol96-80-042 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-541 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook