chempirical

1,7-Phenanthroline

C12H8N2CAS 230-46-6180.21 g/mol

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Properties

Molecular formula
C12H8N2
Molar mass
180.21 g/mol
Exact mass
180.0687 Da
Melting point
78 °C
Boiling point
360 °C
logP
2.78Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
230-46-6
SMILES
c1cnc2c(c1)ccc1ncccc12
InChIKey
OZKOMUDCMCEDTM-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H

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Names and synonyms

5 names
  • m-Phenanthroline
  • 4,10-Phenanthroline
  • Pyrido[2,3-f]quinoline
  • 1,5-Diazaphenanthrene
  • NSC 35679

Work with 1,7-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

Benzo[H]quinoline230-27-369 % similar Benzo[F]quinoline85-02-967 % similar 1,10-Phenanthroline hydrochloride3829-86-556 % similar 4,5-Phenanthroline monohydrate5144-89-856 % similar 8-Bromoquinoline16567-18-347 % similar 8-Chloroquinoline611-33-647 % similar 2-Bromo-1,10-phenanthroline22426-14-845 % similar 2-Chloro-1,10-phenanthroline7089-68-145 % similar

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

Same formula

Benzo(C)cinnoline230-17-1 1,10-Phenanthroline66-71-7 Phenazine92-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook