4-Methoxybenzene-1,2-diamine dihydrochloride

C₇H₁₂Cl₂N₂OCAS 59548-39-9211.09 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₇H₁₂Cl₂N₂O
Molar mass: 211.09 g/mol
Exact mass: 210.0327 Da
logP: 1.70Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed13.3% of notifiers
H312 Harmful in contact with skin13.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled13.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

59548-39-9

SMILES

COc1ccc(N)c(N)c1.Cl.Cl

InChIKey

SXCHMHOBHJOXGC-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5;;/h2-4H,8-9H2,1H3;2*1H

Weigh it out

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

Names and synonyms

8 names

1,2-Benzenediamine, 4-methoxy-, hydrochloride (1:2)
1,2-Benzenediamine, 4-methoxy-, dihydrochloride
o-Phenylenediamine, 4-methoxy-, dihydrochloride
4-Methoxy-1,2-diaminobenzene dihydrochloride
4-Methoxy-o-phenylenediamine dihydrochloride
4-Methoxy-1,2-phenylenediamine dihydrochloride
4-Methoxy-1,2-benzenediamine dihydrochloride
3,4-Diaminoanisole dihydrochloride

Work with 4-Methoxybenzene-1,2-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.

4-Methoxy-1,2-phenylenediamine102-51-2Free base

Similar compounds

2-Chloro-5-methoxyaniline hydrochloride85006-21-967 % similar 2,5-Dimethoxyaniline102-56-761 % similar 2,4-Dimethoxyaniline2735-04-861 % similar 4-Methoxy-2-methylaniline102-50-159 % similar 5-Methoxy-o-toluidine50868-72-959 % similar 4-Anisidine hydrochloride20265-97-857 % similar 2-Iodo-4-methoxyphenylamine191348-14-857 % similar 2-Amino-4-methoxyphenol20734-76-357 % similar

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

Same formula

3-Amino-6-methoxy-2-picoline hcl320577-63-7 2,4-Diaminoanisole dihydrochloride614-94-8 Alpha-Hydrazino-m-cresol dihydrochloride81012-99-9

Elsewhere

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