chempirical

6-Aminochrysene

C18H13NCAS 2642-98-0243.31 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C18H13N
Molar mass
243.31 g/mol
Exact mass
243.1048 Da
Melting point
210.5 °C
logP
4.73Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2642-98-0
SMILES
Nc1cc2c3ccccc3ccc2c2ccccc12
InChIKey
KIVUHCNVDWYUNP-UHFFFAOYSA-N
InChI
InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2

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Names and synonyms

4 names
  • 6-Chrysenamine
  • Chrysenex
  • Chrysonex
  • NSC 80186

Work with 6-Aminochrysene

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

Chrysene218-01-961 % similar (±)-1,1′-Binaphthyl-2,2′-diamine4488-22-654 % similar Phenanthrene85-01-852 % similar 1-Naphthylamine134-32-752 % similar Dibenz(A,H)anthracene53-70-350 % similar 1-Bromo-2-naphthalenamine20191-75-748 % similar Benzo[B]triphenylene215-58-748 % similar α-Naphthylamine hydrochloride552-46-547 % similar

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

Same formula

3-Phenyl-9H-carbazole103012-26-6 9-Phenylcarbazole1150-62-5

Elsewhere

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