3-Chloro-2-methylpropyl(dimethyl)ammonium chloride

C₆H₁₅Cl₂NCAS 4261-67-0172.09 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: 172 °C
logP: 1.84Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed69.6% of notifiers
H302 Harmful if swallowed21.4% of notifiers
H314 Causes severe skin burns and eye damage14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H318 Causes serious eye damage69.6% of notifiers
H319 Causes serious eye irritation10.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

4261-67-0

SMILES

CC(CCl)CN(C)C.Cl

InChIKey

SOMIBONUMGNAEP-UHFFFAOYSA-N

InChI

InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H

Weigh it out

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

Names and synonyms

9 names

1-Propanamine, 3-chloro-N,N,2-trimethyl-, hydrochloride (1:1)
1-Propanamine, 3-chloro-N,N,2-trimethyl-, hydrochloride
Propylamine, 3-chloro-N,N,2-trimethyl-, hydrochloride
(γ-Chloro-β-methylpropyl)dimethylamine-hydrochloride
2-Methyl-3-(dimethylamino)propyl chloride hydrochloride
3-(Dimethylamino)-2-methylpropyl chloride hydrochloride
2,N,N-Trimethylaminopropyl chloride hydrochloride
1-Chloro-2-methyl-3-(N,N-dimethylamino)propane hydrochloride
1-Chloro-3-(dimethylamino)-2-methylpropane hydrochloride

Work with 3-Chloro-2-methylpropyl(dimethyl)ammonium 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

2-Chloro-N,N-dimethyl-1-propanamine hydrochloride4584-49-050 % similar 1-Bromo-3-chloro-2-methylpropane6974-77-244 % similar 1-Chloro-2-methylbutane616-13-741 % similar Dimethylaminoethyl chloride hydrochloride4584-46-739 % similar 3-Dimethylaminopropyl chloride hydrochloride1281-00-137 % similar 3-(Dimethylamino)propyl chloride hydrochloride5407-04-537 % similar Dimethylaminoisopropanol108-16-734 % similar (±)-Trimeprazine84-96-833 % similar

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

Same formula

2-(Diethylamino)ethyl chloride hydrochloride869-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook