chempirical

5-Aminoisoquinoline

C9H8N2CAS 1125-60-6144.18 g/mol

Open in Covalent MOL file
NH2N
Primary amine

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Melting point
128 °C
logP
1.82Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
1125-60-6
SMILES
Nc1cccc2cnccc12
InChIKey
DTVYNUOOZIKEEX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2

Weigh it out

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

Names and synonyms

5 names
  • 5-Isoquinolinamine
  • Isoquinoline, 5-amino-
  • (Isoquinolin-5-yl)amine
  • NSC 46880
  • SID 4248661

Work with 5-Aminoisoquinoline

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-Naphthylamine134-32-756 % similar 5-Hydroxyisoquinoline2439-04-555 % similar α-Naphthylamine hydrochloride552-46-550 % similar Isoquinoline119-65-346 % similar 1,5-Diaminonaphthalene2243-62-146 % similar 5-Isoquinolinesulfonic acid27655-40-946 % similar 5-Nitroisoquinoline607-32-946 % similar 5-Isoquinolinesulfonyl chloride84468-15-546 % similar

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

Same formula

1-Phenylpyrazole1126-00-7 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6 8-Aminoquinoline578-66-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook