4-Chlorobenzamidine hydroiodide

C7H8ClIN2CAS 115297-57-9282.51 g/mol

Open in Covalent MOL file
NHH2NClHI
AmidineAryl halide

Properties

Molecular formula
C7H8ClIN2
Molar mass
282.51 g/mol
Exact mass
281.9421 Da
logP
2.24Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
115297-57-9
SMILES
C1=CC(=CC=C1C(=N)N)Cl.I
InChIKey
YMEVGWRZEYGNJO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2.HI/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H

Weigh it out

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Work with 4-Chlorobenzamidine hydroiodide

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-Chlorobenzamidine hydrochloride14401-51-5Salt

Similar compounds

4-Fluorobenzamidine2339-59-550 % similar p-Aminobenzamidine dihydrochloride2498-50-247 % similar 4-Chlorobenzamide619-56-747 % similar p-Hydroxybenzamidine monohydrochloride38148-63-945 % similar 4-Fluorobenzamidine hydrochloride456-14-445 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-845 % similar 4-Methylbenzamidine hydrochloride6326-27-845 % similar Benzamidine hydrochloride1670-14-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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