chempirical

Diiminoisoindole

C8H7N3CAS 3468-11-9145.16 g/mol

Open in Covalent MOL file
NHHNHN
Amidine

Properties

Molecular formula
C8H7N3
Molar mass
145.16 g/mol
Exact mass
145.0640 Da
Melting point
200 °C
logP
0.94Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
0

Identifiers

CAS number
3468-11-9
SMILES
N=C1NC(=N)c2ccccc21
InChIKey
RZVCEPSDYHAHLX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

Weigh it out

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

Names and synonyms

19 names · show all
  • 1H-Isoindol-3-amine, 1-imino-
  • Isoindoline, 1,3-diimino-
  • 1H-Isoindole, 3-amino-1-imino-
  • 1-Imino-1H-isoindol-3-amine
  • Fastogen blue 5040
  • Fastogen blue FP-3100
  • Fastogen blue SH-100
  • Phthalimidimide
  • Phthalocyanine blue 01216
  • 1-Amino-3-iminoisoindolenine
  • 1,3-Diiminoisoindoline
  • 3-Amino-1-imino-1H-isoindole
  • 3-Amino-1H-isoindol-1-imine
  • 1,3-Diiminoisoindolenine
  • 3-Iminoisoindolenin-1-amine
  • NSC 516222
  • Bis(diiminoisoindoline)
  • 2,3-Dihydro-1H-isoindole-1,3-diimine
  • 3-Iminoisoindol-1-amine

Work with Diiminoisoindole

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

Phthalamide88-96-043 % similar Benzamidoxime613-92-342 % similar Anthraquinone84-65-136 % similar Diphenylguanidine102-06-736 % similar 2-Bromobenzamide4001-73-436 % similar Salicylamide65-45-236 % similar N-Hydroxy-2-pyridinecarboximidamide1772-01-635 % similar 2-(Methylamino)benzamide7505-81-935 % similar

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

Same formula

1,7-Naphthyridin-8-amine17965-82-1 3-(1H-Imidazol-5-yl)pyridine51746-85-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia