chempirical

1-Isoquinolinamine

C9H8N2CAS 1532-84-9144.18 g/mol

Open in Covalent MOL file
NHNH

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Melting point
122–124 °C
logP
1.65Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
1532-84-9
SMILES
N=c1[nH]ccc2ccccc12
InChIKey
OSILBMSORKFRTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 1-Aminoisoquinoline
  • Isoquinolin-1-ylamine
  • Isoquinoline, 1-amino-

Work with 1-Isoquinolinamine

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

1,7-Naphthyridin-8-amine17965-82-150 % similar 4-Aminoquinoline578-68-742 % similar Phenanthrene85-01-842 % similar 1H-Indazol-3-amine874-05-540 % similar Chrysene218-01-938 % similar 1,1'-Binaphthyl604-53-537 % similar Dibenz(A,H)anthracene53-70-336 % similar 7H-Dibenzo[C,G]carbazole194-59-235 % similar

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

Same formula

5-Aminoisoquinoline1125-60-6 1-Phenylpyrazole1126-00-7 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6 8-Aminoquinoline578-66-5

Elsewhere

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