chempirical

3-Aminoquinoline

C9H8N2CAS 580-17-6144.18 g/mol

Open in Covalent MOL file
H2NN
Primary amine

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Melting point
91.5 °C
Boiling point
127–137 °C (at 0.1 Torr)
logP
1.82Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
580-17-6
SMILES
Nc1cnc2ccccc2c1
InChIKey
SVNCRRZKBNSMIV-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2

Weigh it out

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Names and synonyms

5 names
  • 3-Quinolinamine
  • Quinoline, 3-amino-
  • 3-Quinolylamine
  • (Quinolin-3-yl)amine
  • NSC 7934

Work with 3-Aminoquinoline

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

6-Aminoquinoline580-15-457 % similar 3-Bromoquinoline5332-24-153 % similar 3-Methylquinoline612-58-853 % similar 3-Quinolinecarbonitrile34846-64-550 % similar 3-Quinolinecarboxaldehyde13669-42-648 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-447 % similar 2-Naphthylamine91-59-846 % similar 2-Aminoanthracene613-13-845 % 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 1-Isoquinolinamine1532-84-9 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6

Elsewhere

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