chempirical

3-(Aminomethyl)benzoic acid hydrochloride

C8H10ClNO2CAS 876-03-9187.62 g/mol

Open in Covalent MOL file
HClH2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H10ClNO2
Molar mass
187.62 g/mol
Exact mass
187.0400 Da
Melting point
250–251 °C
logP
1.27Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
876-03-9
SMILES
Cl.NCc1cccc(C(=O)O)c1
InChIKey
SJCCOASSOPUHEN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H

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

Names and synonyms

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

Work with 3-(Aminomethyl)benzoic 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 acid hydrochloride15151-51-659 % similar 4-(Aminomethyl)benzoic acid56-91-757 % similar Isophthalic acid121-91-556 % similar 3-Aminobenzoic acid99-05-851 % similar 3-Hydrazinobenzoic acid38235-71-149 % similar 3-Fluorobenzoic acid455-38-949 % similar 3-Chlorobenzoic acid535-80-849 % similar 3-Bromobenzoic acid585-76-249 % similar

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

Same formula

2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-6 4-Chloro-2,5-dimethoxyaniline6358-64-1 5-Chloro-2,4-dimethoxyaniline97-50-7

Elsewhere

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