chempirical

m-Iodobenzylamine hydrochloride

C7H9ClINCAS 3718-88-5269.51 g/mol

Open in Covalent MOL file
HClH2NI
Aryl halidePrimary amine

Properties

Molecular formula
C7H9ClIN
Molar mass
269.51 g/mol
Exact mass
268.9468 Da
logP
2.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
3718-88-5
SMILES
Cl.NCc1cccc(I)c1
InChIKey
PYFDZOCGFHIRST-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanamine, 3-iodo-, hydrochloride (1:1)
  • Benzylamine, m-iodo-, hydrochloride
  • Benzenemethanamine, 3-iodo-, hydrochloride
  • 3-Iodobenzylamine hydrochloride

Work with m-Iodobenzylamine 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-Iodobenzylamine696-40-288 % similar M-Xylylenediamine1477-55-058 % similar Benzylammonium chloride3287-99-854 % similar (3-Iodophenyl)methanol57455-06-852 % similar (3-Aminomethylphenyl)boronic acid hydrochloride352525-94-151 % similar 3-Fluorobenzylamine100-82-348 % similar 3-Chlorobenzylamine4152-90-348 % similar 3-Aminobenzylamine4403-70-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook