3-Amino-4-hydroxybenzoic acid hydrochloride

C₇H₈ClNO₃CAS 1571-65-9189.59 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₇H₈ClNO₃
Molar mass: 189.59 g/mol
Exact mass: 189.0193 Da
logP: 1.09Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

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

1571-65-9

SMILES

C1=CC(=C(C=C1C(=O)O)N)O.Cl

InChIKey

WHQWETPIAIQHFZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,9H,8H2,(H,10,11);1H

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Work with 3-Amino-4-hydroxybenzoic acid 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

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.

3-Amino-4-hydroxybenzoic acid1571-72-8Free base

Similar compounds

4-Amino-3-hydroxybenzoic acid2374-03-068 % similar 3,4-Diaminobenzoic acid619-05-664 % similar 2-Aminoterephthalic acid10312-55-762 % similar 2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-162 % similar Protocatechuic acid99-50-361 % similar 4-Hydroxyisophthalic acid636-46-457 % similar 3-Amino-4-fluorobenzoic acid2365-85-757 % similar 3-Amino-4-methylbenzoic acid2458-12-057 % similar

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

Elsewhere

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