chempirical

1,10-Phenanthroline

C12H8N2CAS 66-71-7180.21 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C12H8N2
Molar mass
180.21 g/mol
Exact mass
180.0687 Da
Melting point
117 °C
Boiling point
above 300 °C
logP
2.78Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
66-71-7
SMILES
c1cnc2c(c1)ccc1cccnc12
InChIKey
DGEZNRSVGBDHLK-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

Weigh it out

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

Names and synonyms

9 names
  • 4,5-Diazaphenanthrene
  • o-Phenanthroline
  • β-Phenanthroline
  • 1,10-o-Phenanthroline
  • Activ-8
  • TS 20
  • TS 20 (amine)
  • NSC 203545
  • 11,10-Phenanthroline

Work with 1,10-Phenanthroline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,10-Phenanthroline hydrochloride3829-86-584 % similar 4,5-Phenanthroline monohydrate5144-89-884 % similar Benzo[H]quinoline230-27-368 % similar 2-Bromo-1,10-phenanthroline22426-14-864 % similar 2-Chloro-1,10-phenanthroline7089-68-164 % similar 8-Bromoquinoline16567-18-361 % similar 8-Chloroquinoline611-33-661 % similar Ferroin14634-91-459 % similar

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

Same formula

Benzo(C)cinnoline230-17-1 1,7-Phenanthroline230-46-6 Phenazine92-82-0

Elsewhere

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