5-Aminobenzene-1,3-diol hydrochloride

C₆H₈ClNO₂CAS 6318-56-5161.59 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

6318-56-5

SMILES

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

InChIKey

VNZZCDQPCQIUGG-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 5-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

m-Aminophenol hydrochloride51-81-060 % similar 1,3,5-Triaminobenzene trihydrochloride638-09-558 % similar 4-Aminophenol hydrochloride51-78-557 % similar Phloroglucinol108-73-650 % similar 3-Aminophenol591-27-548 % similar 3-Amino-5-hydroxybenzoic acid76045-71-147 % similar 5-Aminopyridin-3-ol3543-01-946 % similar 4-Aminophenol123-30-843 % similar

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

Same formula

2-(Hydroxymethyl)-3-hydroxypyridine hydrochloride14173-30-9 4-Aminobenzene-1,3-diol hydrochloride34781-86-7 2-Aminoresorcinol hydrochloride634-60-6

Elsewhere

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