(4-Iodophenyl)methanamine hydrochloride

C₇H₉ClINCAS 59528-27-7269.51 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59528-27-7

SMILES

C1=CC(=CC=C1CN)I.Cl

InChIKey

GBJMURRFWZREHE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8IN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H

Weigh it out

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

Names and synonyms

1 names

4-Iodobenzylamine hydrochloride

Work with (4-Iodophenyl)methanamine 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.

4-Iodobenzylamine39959-59-6Free base

Similar compounds

P-Xylylenediamine539-48-057 % similar Benzylammonium chloride3287-99-856 % similar 4-Bromobenzylamine hydrochloride26177-44-656 % similar 4-(Aminomethyl)benzonitrile hydrochloride15996-76-650 % similar 4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride34403-52-650 % similar 4-Aminomethylphenylboronic acid hydrochloride75705-21-450 % similar 3-Iodobenzylamine696-40-248 % similar p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

m-Iodobenzylamine hydrochloride3718-88-5

Elsewhere

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