chempirical

3-Iodoaniline

C6H6INCAS 626-01-7219.03 g/mol

Open in Covalent MOL file
H2NI
Aryl halidePrimary amine

Properties

Molecular formula
C6H6IN
Molar mass
219.03 g/mol
Exact mass
218.9545 Da
Melting point
33 °C
Boiling point
145 °C
logP
1.87Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
626-01-7
SMILES
Nc1cccc(I)c1
InChIKey
FFCSRWGYGMRBGD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenamine, 3-iodo-
  • Aniline, m-iodo-
  • 3-Iodobenzenamine
  • m-Aminoiodobenzene
  • m-Iodoaniline
  • NSC 34545
  • (3-Iodophenyl)amine
  • 3-Aminophenyl iodide

Work with 3-Iodoaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

M-Phenylenediamine108-45-260 % similar 1,3-Diiodobenzene626-00-660 % similar M-Phenylenediamine hydrochloride541-69-552 % similar 3-Chloroaniline108-42-948 % similar 1-Fluoro-3-iodobenzene1121-86-448 % similar 3-Fluoroaniline372-19-048 % similar 1-Chloro-3-iodobenzene625-99-048 % similar 3-Iodobenzylamine696-40-246 % similar

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

Same formula

4-Iodoaniline540-37-4 2-Iodoaniline615-43-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook