Apraclonidine

C9H10Cl2N4CAS 66711-21-5245.11 g/mol

Open in Covalent MOL file
H2NClNHNHNCl
Aryl halideGuanidinePrimary amine

Properties

Molecular formula
C9H10Cl2N4
Molar mass
245.11 g/mol
Exact mass
244.0283 Da
Melting point
above 230 °C
logP
1.95Crippen estimate
Polar surface area
62.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
66711-21-5
SMILES
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIKey
IEJXVRYNEISIKR-UHFFFAOYSA-N
InChI
InChI=1S/C9H10Cl2N4/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)

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)-
  • 2,6-Dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)-1,4-benzenediamine
  • p-Aminoclonidine
  • NC 14
  • Aplonidine
  • 2-(4-Amino-2,6-dichlorophenylamino)-2-imidazoline
  • Lopidine
  • 2,6-Dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
  • 2,6-Dichloro-N1-(2-imidazolidinylidene)-1,4-benzenediamine

Work with Apraclonidine

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.

Apraclonidine hydrochloride73218-79-8Salt

Similar compounds

Clonidine4205-90-771 % similar Clonidine hydrochloride4205-91-866 % similar Tizanidine51322-75-951 % similar Tizanidine hydrochloride64461-82-148 % similar Moxonidine75438-57-238 % similar Moxonidine hydrochloride75438-58-336 % similar 2,6-Dichloro-1,4-benzenediamine609-20-136 % similar 3,4,5-Trichloroaniline634-91-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook