2,4-Dimethylaniline hydrochloride

C₈H₁₂ClNCAS 21436-96-4157.64 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₁₂ClN
Molar mass: 157.64 g/mol
Exact mass: 157.0658 Da
logP: 2.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

21436-96-4

SMILES

Cc1ccc(N)c(C)c1.Cl

InChIKey

HFXISSJBRAPVLG-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N.ClH/c1-6-3-4-8(9)7(2)5-6;/h3-5H,9H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,4-dimethyl-, hydrochloride (1:1)
2,4-Xylidine, hydrochloride
Benzenamine, 2,4-dimethyl-, hydrochloride
2,4-Dimethylanilinium chloride

Work with 2,4-Dimethylaniline 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.

2,4-Xylidine95-68-1Free base

Similar compounds

3,3′-Dimethylbenzidine dihydrochloride612-82-867 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-264 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-362 % similar o-Toluidinium chloride636-21-559 % similar 2,5-Xylidine95-78-359 % similar 3,4-Diaminotoluene496-72-058 % similar Tolidine119-93-756 % similar 2-Iodo-4-methylaniline29289-13-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenylethylamine hydrochloride156-28-5 2,6-Dimethylaniline hydrochloride21436-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook