2-Pentyl-9,10-anthracenedione

C₁₉H₁₈O₂CAS 13936-21-5278.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₈O₂
Molar mass: 278.35 g/mol
Exact mass: 278.1307 Da
Melting point: 85 °C
logP: 4.19Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P301+P317, P319, P330, P501

Identifiers

CAS number

13936-21-5

SMILES

CCCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O

InChIKey

UMWZLYTVXQBTTE-UHFFFAOYSA-N

InChI

InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3

Weigh it out

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

Names and synonyms

6 names

9,10-Anthracenedione, 2-pentyl-
Anthraquinone, 2-pentyl-
β-Pentylanthraquinone
2-Amylanthraquinone
2-Pentylanthraquinone
2-Pentyl-9,10-dihydroanthracene-9,10-dione

Work with 2-Pentyl-9,10-anthracenedione

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

2-Ethylanthraquinone84-51-566 % similar 2-(Hydroxymethyl)anthraquinone17241-59-757 % similar 1-(4-Pentylphenyl)ethanone37593-02-549 % similar 2-tert-Butylanthraquinone84-47-949 % similar 2-Methylanthraquinone84-54-849 % similar Pentylbenzene538-68-148 % similar P-Octylacetophenone10541-56-748 % similar 4-Pentylbenzoic acid26311-45-548 % similar

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

Same formula

2-(1,1-Dimethylpropyl)-9,10-anthracenedione32588-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook