chempirical

Phthalazine

C8H6N2CAS 253-52-1130.15 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C8H6N2
Molar mass
130.15 g/mol
Exact mass
130.0531 Da
Melting point
90.5 °C
Boiling point
316 °C
logP
1.63Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
253-52-1
SMILES
c1ccc2cnncc2c1
InChIKey
LFSXCDWNBUNEEM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H

Weigh it out

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

Names and synonyms

6 names
  • 2,3-Benzodiazine
  • Benzo[d]pyridazine
  • 2,3-Diazanaphthalene
  • β-Phenodiazine
  • NSC 62484
  • NSC 63241

Work with Phthalazine

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

Isoquinoline119-65-350 % similar 1(2H)-Phthalazinone119-39-146 % similar Anthracene120-12-744 % similar 3-Chloroisoquinoline19493-45-943 % similar 3-Methylisoquinoline1125-80-042 % similar 3(2H)-Isoquinolinone7651-81-242 % similar Pentacene135-48-841 % similar Tetracene92-24-041 % similar

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

Same formula

1,6-Naphthyridine253-72-5 Quinazoline253-82-7 1,8-Naphthyridine254-60-4 1,5-Naphthyridine254-79-5 Quinoxaline91-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia