3-Aminofluoranthene

C₁₆H₁₁NCAS 2693-46-1217.27 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

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

Weigh it out

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

3-Bromofluoranthene13438-50-152 % similar 1,5-Diaminonaphthalene2243-62-150 % similar 1-Naphthylamine134-32-748 % similar Fluoranthene-3-boronic acid359012-63-847 % similar Benzo[b]fluoranthene205-99-247 % similar 1-Amino-4-bromonaphthalene2298-07-943 % similar α-Naphthylamine hydrochloride552-46-543 % similar Fluoranthene206-44-042 % 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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