chempirical

3-Aminocoumarin

C9H7NO2CAS 1635-31-0161.16 g/mol

Open in Covalent MOL file
H2NOO
Primary amine

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
130 °C
logP
1.38Crippen estimate
Polar surface area
56.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1635-31-0
SMILES
Nc1cc2ccccc2oc1=O
InChIKey
QWZHDKGQKYEBKK-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2

Weigh it out

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

Names and synonyms

6 names
  • 2H-1-Benzopyran-2-one, 3-amino-
  • Coumarin, 3-amino-
  • 3-Amino-2H-1-benzopyran-2-one
  • 3-Amino-2H-chromen-2-one
  • 3-Amino-chromen-2-one
  • 3-Aminochromen-2-one

Work with 3-Aminocoumarin

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

3-Hydroxycoumarin939-19-558 % similar 3-Cyanocoumarin15119-34-354 % similar 3-Acetylcoumarin3949-36-850 % similar Coumarin-3-carboxylic acid531-81-750 % similar 2,3-Diaminonaphthalene771-97-146 % similar 3-Carbethoxycoumarin1846-76-043 % similar 2-Benzofurancarboxaldehyde4265-16-143 % similar Coumarin91-64-542 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 1H-Indole-5-carboxylic acid1670-81-1

Elsewhere

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