chempirical

4-Iodobenzylamine

C7H8INCAS 39959-59-6233.05 g/mol

Open in Covalent MOL file
H2NI
Aryl halidePrimary amine

Properties

Molecular formula
C7H8IN
Molar mass
233.05 g/mol
Exact mass
232.9701 Da
Melting point
45 °C
Boiling point
113–115 °C (at 4 Torr)
logP
1.75Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
39959-59-6
SMILES
NCc1ccc(I)cc1
InChIKey
KCGZGJOBKAXVSU-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanamine, 4-iodo-
  • Benzylamine, p-iodo-
  • 4-Iodobenzenemethanamine
  • (4-Iodophenyl)methanamine

Work with 4-Iodobenzylamine

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

P-Xylylenediamine539-48-067 % similar 4-Aminobenzylamine4403-71-852 % similar Benzylamine100-46-950 % similar 4-Methylbenzylamine104-84-750 % similar 4-Chlorobenzylamine104-86-950 % similar 4-Fluorobenzylamine140-75-050 % similar 4-Iodobenzyl bromide16004-15-250 % similar 4-Iodobenzyl alcohol18282-51-450 % similar

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

Same formula

4-Iodo-2-methylaniline13194-68-8 2-Iodo-5-methylbenzenamine13194-69-9 2-Iodo-4-methylaniline29289-13-2 3-Iodo-4-methylbenzenamine35944-64-0 3-Iodobenzylamine696-40-2 5-Iodo-2-methylaniline83863-33-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook