chempirical

3-Aminofluoranthene

C16H11NCAS 2693-46-1217.27 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C16H11N
Molar mass
217.27 g/mol
Exact mass
217.0891 Da
Melting point
115–117 °C
Boiling point
280–290 °C (at 10 Torr)
logP
4.07Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2693-46-1
SMILES
Nc1ccc2c3c(cccc13)-c1ccccc1-2
InChIKey
VHGJAFIHUSTRGB-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2

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

Names and synonyms

4 names
  • 3-Fluoranthenamine
  • 4-Aminofluoranthene
  • 4-Fluoranthenamine
  • NSC 57469

Work with 3-Aminofluoranthene

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

1,5-Diaminonaphthalene2243-62-150 % similar 1-Naphthylamine134-32-748 % similar Benz(E)acephenanthrylene205-99-247 % similar 1-Amino-4-bromonaphthalene2298-07-943 % similar α-Naphthylamine hydrochloride552-46-543 % similar Fluoranthene206-44-042 % similar 4-Amino-1,8-naphthalic anhydride6492-86-042 % similar (±)-1,1′-Binaphthyl-2,2′-diamine4488-22-640 % similar

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

Same formula

1-Aminopyrene1606-67-3 7H-Benzo[C]carbazole205-25-4 Benzo[A]carbazole239-01-0 5H-Benzo[B]carbazole243-28-7

Elsewhere

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