4,6-Diaminoresorcinol dihydrochloride

C₆H₁₀Cl₂N₂O₂CAS 16523-31-2213.06 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₆H₁₀Cl₂N₂O₂
Molar mass: 213.06 g/mol
Exact mass: 212.0119 Da
Melting point: above 260 °C
logP: 1.11Crippen estimate
Polar surface area: 92.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H341 Suspected of causing genetic defects50% of notifiers

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

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16523-31-2

SMILES

Cl.Cl.Nc1cc(N)c(O)cc1O

InChIKey

KUMOYHHELWKOCB-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H

Weigh it out

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

Names and synonyms

8 names

1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2)
Resorcinol, 4,6-diamino-, dihydrochloride
1,3-Benzenediol, 4,6-diamino-, dihydrochloride
4,6-Diamino-1,3-benzenediol dihydrochloride
4,6-Diaminoresorcin dihydrochloride
1,3-Diamino-4,6-dihydroxybenzene dihydrochloride
6-Dihydroxy-m-phenylenediamine dihydrochloride
4,6-Diamino-1,3-dihydroxybenzene dihydrochloride

Work with 4,6-Diaminoresorcinol 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.

4,6-Diaminoresorcinol15791-87-4Free base

Similar compounds

1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-558 % similar Dianol137-09-758 % similar 4-Aminobenzene-1,3-diol hydrochloride34781-86-758 % similar o-Aminophenol hydrochloride51-19-452 % similar 3-Amino-2-naphthol5417-63-050 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-048 % similar 3-Amino-4-hydroxybenzoic acid hydrochloride1571-65-945 % similar 4-Amino-1-naphthol hydrochloride5959-56-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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