4-Aminobenzene-1,3-diol hydrochloride

C₆H₈ClNO₂CAS 34781-86-7161.59 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₆H₈ClNO₂
Molar mass: 161.59 g/mol
Exact mass: 161.0244 Da
logP: 1.10Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

34781-86-7

SMILES

C1=CC(=C(C=C1O)O)N.Cl

InChIKey

LLJMPRKYLLJAEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H

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Names and synonyms

1 names

4-Aminoresorcinol hydrochloride

Work with 4-Aminobenzene-1,3-diol 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

4-Amino-3-fluorophenol hydrochloride18266-53-060 % similar 4-Amino-3-chlorophenol hydrochloride52671-64-460 % similar 4,6-Diaminoresorcinol dihydrochloride16523-31-258 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-056 % similar 2-Amino-5-bromophenol38191-34-355 % similar o-Aminophenol hydrochloride51-19-454 % similar 4-Amino-3-chlorophenol17609-80-250 % similar 2-Amino-5-methylphenol2835-98-550 % similar

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

Same formula

2-(Hydroxymethyl)-3-hydroxypyridine hydrochloride14173-30-9 5-Aminobenzene-1,3-diol hydrochloride6318-56-5 2-Aminoresorcinol hydrochloride634-60-6

Elsewhere

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