2-Chloro-N,N-dimethyl-1-propanamine hydrochloride

C₅H₁₃Cl₂NCAS 4584-49-0158.07 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₅H₁₃Cl₂N
Molar mass: 158.07 g/mol
Exact mass: 157.0425 Da
Melting point: 196 °C
Water solubility: ≥ 100 g/L (21.1 °C)
logP: 1.60Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed17.8% of notifiers
H302 Harmful if swallowed80.8% of notifiers
H315 Causes skin irritation93.2% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H335 May cause respiratory irritation76.7% of notifiers
H400 Very toxic to aquatic life15.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects15.1% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

4584-49-0

SMILES

CC(Cl)CN(C)C.Cl

InChIKey

OCWGRWAYARCRTQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H

Weigh it out

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

Names and synonyms

19 names · show all

1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
Propylamine, 2-chloro-N,N-dimethyl-, hydrochloride
1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride
1-Methyl-2-dimethylaminoethyl chloride hydrochloride
(2-Chloropropyl)dimethylamine monohydrochloride
N,N-Dimethyl-2-chloropropylamine hydrochloride
2-(Dimethylamino)isopropyl chloride hydrochloride
2-(Dimethylamino)-1-methylethyl chloride hydrochloride
2-Chloro-N′,N′-dimethylaminopropane hydrochloride
2-Chloro-N,N-dimethylaminopropane hydrochloride
1-(Dimethylamino)-2-chloropropane hydrochloride
Dimethylaminoisopropyl chloride hydrochloride
1-Dimethylamino-2-propyl chloride hydrochloride
NSC 53532
NSC 5367
1-Dimethylaminopropan-2-yl chloride hydrochloride
(2-Chloropropyl)dimethylamine hydrochloride
2-Chloro-N,N-dimethylpropylamine hydrochloride
(2-Chloropropyl)dimethylazanium chloride

Work with 2-Chloro-N,N-dimethyl-1-propanamine 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

Similar compounds

(γ-Chloro-β-methylpropyl)dimethylamine-hydrochloride4261-67-050 % similar Dimethylaminoethyl chloride hydrochloride4584-46-742 % similar 2-Chlorobutane78-86-436 % similar 1,2-Dichloropropane78-87-536 % similar Propylene chlorohydrin78-89-735 % similar 1,3-Dichlorobutane1190-22-333 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-733 % similar N-Methyl-4-chloropiperidine hydrochloride5382-23-033 % similar

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

Same formula

3-Dimethylaminopropyl chloride hydrochloride1281-00-1 3-(Dimethylamino)propyl chloride hydrochloride5407-04-5 Chlormequat chloride999-81-5

Elsewhere

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