3-Bromobenzamidine hydrochloride

C₇H₈BrClN₂CAS 16796-52-4235.51 g/mol

Open in Covalent MOL file

Amidine Aryl halide

Properties

Molecular formula: C₇H₈BrClN₂
Molar mass: 235.51 g/mol
Exact mass: 233.9559 Da
logP: 2.15Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16796-52-4

SMILES

C1=CC(=CC(=C1)Br)C(=N)N.Cl

InChIKey

XIZFRYIWRFNILW-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H

Weigh it out

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

Names and synonyms

1 names

3-Bromobenzene-1-carboximidamide hydrochloride

Work with 3-Bromobenzamidine 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

Similar compounds

3-Methylbenzene-1-carboximidamide hydrochloride20680-59-562 % similar Benzamidine hydrochloride1670-14-060 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-555 % similar 4-Chlorobenzamidine hydrochloride14401-51-550 % similar 3-Bromobenzamide22726-00-750 % similar Nicotinamidine hydrochloride7356-60-750 % similar Biphenyl-4-carboxamidine hydrochloride111082-23-649 % similar p-Aminobenzamidine dihydrochloride2498-50-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromobenzene-1-carboximidamide hydrochloride55368-42-8

Elsewhere

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