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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

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-Aminobenzoic acid99-05-8Free base

Similar compounds

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 4-Aminobenzoic acid150-13-053 % 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 2-Chloro-N-((furan-2-yl)methyl)acetamide40914-13-4 Trigonelline hydrochloride6138-41-6 3-Pyridylacetic acid hydrochloride6419-36-9 4-Pyridineacetic acid hydrochloride6622-91-9 4-Methylnicotinic acid hydrochloride94015-05-1

Elsewhere

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