chempirical

Neocuproine

C14H12N2CAS 484-11-7208.26 g/mol

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Properties

Molecular formula
C14H12N2
Molar mass
208.26 g/mol
Exact mass
208.1000 Da
Melting point
159.5 °C
Boiling point
180–190 °C (at 0.5 Torr)
logP
3.40Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
484-11-7
SMILES
Cc1ccc2ccc3ccc(C)nc3c2n1
InChIKey
IYRGXJIJGHOCFS-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3

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Names and synonyms

11 names
  • 1,10-Phenanthroline, 2,9-dimethyl-
  • 2,9-Dimethyl-1,10-phenanthroline
  • 2,9-Dimethyl-o-phenanthroline
  • Neocuproin
  • DMPHEN
  • VUF 7738
  • 2,9-Dimethylphenanthroline
  • 2,9-Neocuproine
  • NSC 4280
  • 2,9-Dimethyl-1,10-phenanthrolin
  • 3,6-Dimethyl-4,5-diazaphenanthrene

Work with Neocuproine

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

2,8-Dimethylquinoline1463-17-864 % similar 8-Aminoquinaldine18978-78-462 % similar 2-Methyl-8-hydroxyquinoline826-81-359 % similar Quinaldine91-63-452 % similar 2,7-Dimethylquinoline93-37-850 % similar 2-Methyl-8-nitroquinoline881-07-248 % similar 6-Methyl-1H-pyrrolo[2,3-B]pyridine824-51-148 % similar 2,6-Dimethylquinoline877-43-048 % similar

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

Same formula

5,6-Dimethyl-1,10-phenanthroline3002-81-1 4,7-Dimethyl-1,10-phenanthroline3248-05-3 Benzalazine588-68-1 Dibazole621-72-7

Elsewhere

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