m-Iodobenzylamine hydrochloride

C₇H₉ClINCAS 3718-88-5269.51 g/mol

Open in Covalent MOL file

Aryl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation97.9% of notifiers
H317 May cause an allergic skin reaction87.2% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled87.2% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H361 Suspected of damaging fertility or the unborn child85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

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

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-Iodobenzylamine696-40-2Free base

Similar compounds

M-Xylylenediamine1477-55-058 % similar 3-Bromobenzylamine hydrochloride39959-54-156 % similar Benzylammonium chloride3287-99-854 % similar 3-Iodobenzyl bromide49617-83-652 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Iodophenyl)methanamine hydrochloride59528-27-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook