Apraclonidine hydrochloride

C₉H₁₁Cl₃N₄CAS 73218-79-8281.56 g/mol

Open in Covalent MOL file

Aryl halide Guanidine Primary amine

Properties

Molecular formula: C₉H₁₁Cl₃N₄
Molar mass: 281.56 g/mol
Exact mass: 280.0049 Da
logP: 2.37Crippen estimate
Polar surface area: 62.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed66.7% of notifiers
H301 Toxic if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H370 Causes damage to organs33.3% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P319, P321, P330, P337+P317, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

73218-79-8

SMILES

Cl.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1

InChIKey

OTQYGBJVDRBCHC-UHFFFAOYSA-N

InChI

InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H

Weigh it out

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

Names and synonyms

9 names

1,4-Benzenediamine, 2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)-, hydrochloride (1:1)
1,4-Benzenediamine, 2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride
1,4-Benzenediamine, 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride
p-Aminoclonidine monohydrochloride
ALO 2145
AL 02145
Iopidine
Aplonidine hydrochloride
2,6-Dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine hydrochloride

Work with Apraclonidine 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.

Apraclonidine66711-21-5Free base

Similar compounds

Clonidine hydrochloride4205-91-874 % similar Clonidine4205-90-766 % similar Tizanidine hydrochloride64461-82-154 % similar Tizanidine51322-75-948 % similar Moxonidine hydrochloride75438-58-342 % similar Lofexidine hydrochloride21498-08-838 % similar Moxonidine75438-57-236 % similar 2-Chloro-1,4-benzenediamine hydrochloride62106-51-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook