chempirical

1-Aminopyrene

C16H11NCAS 1606-67-3217.27 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C16H11N
Molar mass
217.27 g/mol
Exact mass
217.0891 Da
Melting point
115–117 °C
logP
4.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1606-67-3
SMILES
Nc1ccc2ccc3cccc4ccc1c2c34
InChIKey
YZVWKHVRBDQPMQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2

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

Names and synonyms

5 names
  • 1-Pyrenamine
  • 3-Aminopyrene
  • α-Aminopyrene
  • NSC 11436
  • 1-Aminopyren

Work with 1-Aminopyrene

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

1,8-Diaminonaphthalene479-27-654 % similar Pyrene129-00-052 % similar 1-Naphthylamine134-32-750 % similar Benzo(ghi)perylene191-24-250 % similar 1-Methylpyrene2381-21-750 % similar 1-Methoxypyrene34246-96-350 % similar 1-Hydroxypyrene5315-79-750 % similar Benzo(A)pyrene50-32-848 % similar

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

Same formula

7H-Benzo[C]carbazole205-25-4 Benzo[A]carbazole239-01-0 5H-Benzo[B]carbazole243-28-7 3-Aminofluoranthene2693-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook