chempirical

3-Aminobenzoic acid hydrochloride

C7H8ClNO2CAS 15151-51-6173.60 g/mol

Open in Covalent MOL file
HClH2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H8ClNO2
Molar mass
173.60 g/mol
Exact mass
173.0244 Da
logP
1.39Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
15151-51-6
SMILES
Cl.Nc1cccc(C(=O)O)c1
InChIKey
PTTMMENRLMBXGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 3-amino-, hydrochloride (1:1)
  • Benzoic acid, m-amino-, hydrochloride
  • Benzoic acid, 3-amino-, hydrochloride

Work with 3-Aminobenzoic 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

Similar compounds

3-Aminobenzoic acid99-05-889 % similar 3,5-Diaminobenzoic acid dihydrochloride618-56-468 % similar Isophthalic acid121-91-562 % similar 3-(Aminomethyl)benzoic acid hydrochloride876-03-959 % similar 3,5-Diaminobenzoic acid535-87-558 % similar 3,5-Dicarboxyaniline99-31-058 % similar 6-Amino-2-naphthoic acid116668-47-457 % similar 3,3′-Diaminobenzophenone611-79-056 % similar

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

Same formula

4-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-9 2-Pyridylacetic acid hydrochloride16179-97-8 Trigonelline hydrochloride6138-41-6 3-Pyridylacetic acid hydrochloride6419-36-9 4-Pyridylacetic acid hydrochloride6622-91-9

Elsewhere

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