Acridine

C₁₃H₉NCAS 260-94-6179.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉N
Molar mass: 179.22 g/mol
Exact mass: 179.0735 Da
Density: 1.005 g/mL (at 20 °C)
Melting point: 108 °C
Boiling point: 345.5 °C
pKa: 5.45 (conjugate acid, 15 °C)
Water solubility: slightly soluble
logP: 3.39Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed94% of notifiers
H312 Harmful in contact with skin10% of notifiers
H315 Causes skin irritation18% of notifiers
H319 Causes serious eye irritation16% of notifiers
H332 Harmful if inhaled10% of notifiers
H335 May cause respiratory irritation22% of notifiers

Aggregated from 50 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

260-94-6

SMILES

c1ccc2nc3ccccc3cc2c1

InChIKey

DZBUGLKDJFMEHC-UHFFFAOYSA-N

InChI

InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H

Weigh it out

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

Names and synonyms

6 names

9-Azaanthracene
2,3-Benzoquinoline
NSC 3408
10-Azaanthracene
Benzo[b]quinoline
Dibenzo[b,e]pyridine

Work with Acridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Acridine monohydrochloride17784-47-3Salt

Similar compounds

Phenazine92-82-059 % similar 2,2′-Biquinoline119-91-555 % similar Anthracene120-12-753 % similar Pentacene135-48-850 % similar 2-Chloro-3-methylquinoline57876-69-450 % similar Tetracene92-24-050 % similar 2-Bromoquinoline2005-43-848 % similar 2-Quinolone59-31-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenanthridine229-87-8 Benzo[h]quinoline230-27-3 2-Cyanobiphenyl24973-49-7 (1,1'-Biphenyl)-4-carbonitrile2920-38-9 Benzo[f]quinoline85-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia