chempirical

4-Aminophthalimide

C8H6N2O2CAS 3676-85-5162.15 g/mol

Open in Covalent MOL file
H2NONHO
Primary amine

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
294 °C
Boiling point
268–275 °C (at 9 Torr)
logP
0.73Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
3676-85-5
SMILES
Nc1ccc2c(c1)C(=O)N=C2O
InChIKey
PXRKCOCTEMYUEG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Isoindole-1,3(2H)-dione, 5-amino-
  • Phthalimide, 4-amino-
  • 5-Amino-1H-isoindole-1,3(2H)-dione
  • NSC 25173
  • 5-Amino-1,3-dioxo-2,3-dihydro-1H-isoindole
  • 5-Aminoisoindoline-1,3-dione
  • 5-Aminoisoindole-1,3-dione

Work with 4-Aminophthalimide

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

Phthalimide85-41-656 % similar 4-Aminophthalic acid5434-21-953 % similar Pigment violet 2981-33-450 % similar 2,6-Diaminoanthraquinone131-14-648 % similar 3-Aminophthalimide2518-24-346 % similar 4-Aminosalicylic acid65-49-645 % similar Naphthalimide81-83-445 % similar 5-Aminosalicylic acid89-57-645 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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