7,12-Dimethylbenz[a]anthracene

C₂₀H₁₆CAS 57-97-6256.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₆
Molar mass: 256.35 g/mol
Exact mass: 256.1252 Da
Melting point: 123.5 °C
Flash point: 86 °C
Water solubility: 61 µg/L (25 °C)
logP: 5.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H350 May cause cancer93.2% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

57-97-6

SMILES

Cc1c2ccccc2c(C)c2c1ccc1ccccc12

InChIKey

ARSRBNBHOADGJU-UHFFFAOYSA-N

InChI

InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

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Names and synonyms

9 names

7,12-Dimethylbenz(A)anthracene
Benz[a]anthracene, 7,12-dimethyl-
DMBA
7,12-DMBA
9,10-Dimethyl-1,2-benzanthracene
9,10-Dimethyl-1,2-benz[a]anthracene
DMBA (pharmaceutical)
NSC 408823
DMBAn

Work with 7,12-Dimethylbenz[a]anthracene

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

9,10-Dimethylanthracene781-43-157 % similar 9-Methylanthracene779-02-252 % similar 1,2-Dimethylnaphthalene573-98-852 % similar Chrysene218-01-948 % similar Phenanthrene85-01-846 % similar 7H-Dibenzo[c,g]carbazole194-59-243 % similar Methylnaphthalene1321-94-441 % similar 1-Methylnaphthalene90-12-041 % similar

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

Same formula

Triphenylethylene58-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia