9-Aminoacridine hydrochloride monohydrate

C₁₃H₁₃ClN₂OCAS 52417-22-8248.71 g/mol

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Properties

Molecular formula: C₁₃H₁₃ClN₂O
Molar mass: 248.71 g/mol
Exact mass: 248.0716 Da
Water solubility: 1–5 g/L (17.5 °C)
logP: 2.40Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H341 Suspected of causing genetic defects12.8% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number

52417-22-8

SMILES

Cl.N=c1c2ccccc2[nH]c2ccccc12.O

InChIKey

OREJEGKBQBIJSJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2

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

Names and synonyms

2 names

9-Acridinamine, hydrochloride, hydrate (1:1:1)
9-Acridinamine, monohydrochloride, monohydrate

Work with 9-Aminoacridine hydrochloride monohydrate

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.

9-Aminoacridine90-45-9Free base

Similar compounds

Tacrine hydrochloride1684-40-854 % similar Carbazole86-74-850 % similar Tacrine321-64-246 % similar 5,7-Dihydroindolo(2,3-b)carbazole111296-90-342 % similar Acridone578-95-042 % similar 3,3'-Bicarbazole1984-49-239 % similar 2-Amino-9H-pyrido(2,3-b)indole26148-68-539 % similar 2-Amino-4-hydroxyquinoline42712-64-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Harmine hydrochloride343-27-1 EX 52749843-98-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook