2-Methylbenzene-1,4-diamine dihydrochloride

C₇H₁₂Cl₂N₂CAS 615-45-2195.09 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₇H₁₂Cl₂N₂
Molar mass: 195.09 g/mol
Exact mass: 194.0378 Da
logP: 2.00Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation95.1% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

615-45-2

SMILES

Cc1cc(N)ccc1N.Cl.Cl

InChIKey

VQUHVWVGRKTIBH-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2.2ClH/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,8-9H2,1H3;2*1H

Weigh it out

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

Names and synonyms

5 names

1,4-Benzenediamine, 2-methyl-, hydrochloride (1:2)
Toluene-2,5-diamine, dihydrochloride
1,4-Benzenediamine, 2-methyl-, dihydrochloride
p-Toluenediamine dihydrochloride
2,5-Diaminotoluene dihydrochloride

Work with 2-Methylbenzene-1,4-diamine dihydrochloride

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.

2,5-Diaminotoluene95-70-5Free base 2,5-Diaminotoluene sulfate615-50-9Salt

Similar compounds

3,3′-Dimethylbenzidine dihydrochloride612-82-867 % similar 2,4-Dimethylaniline hydrochloride21436-96-464 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-362 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-462 % similar 2,4-Diaminotoluene95-80-759 % similar 3,4-Xylidine95-64-758 % similar Tolidine119-93-756 % similar 2,2′-Dimethylbenzidine84-67-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylhydrazine dihydrochloride20570-96-1 N-Methyl-o-phenylenediamine dihydrochloride25148-68-9 N-Methyl-p-phenylenediamine dihydrochloride5395-70-0

Elsewhere

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