chempirical

1,3-Diiminoisoindoline

C8H7N3CAS 57500-34-2145.16 g/mol

Open in Covalent MOL file
NNHNH2
AmidineImine

Properties

Molecular formula
C8H7N3
Molar mass
145.16 g/mol
Exact mass
145.0640 Da
logP
0.73Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57500-34-2
SMILES
C1=CC=C2C(=C1)C(=NC2=N)N
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

1 names
  • 1H-Isoindol-3-amine, 1-imino-

Work with 1,3-Diiminoisoindoline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diiminoisoindole3468-11-9

Similar compounds

N-Phenylbenzamidine1527-91-933 % similar Phthalamide88-96-033 % similar N'-Hydroxy-2-(4-morpholinyl)benzenecarboximidamide1021243-96-833 % similar Anthranilamide88-68-631 % similar 2-(Diethylamino)-N'-hydroxybenzenecarboximidamide1021244-00-731 % similar N'-Hydroxy-2-(4-methyl-1-piperidinyl)-benzenecarboximidamide1021243-87-730 % similar Fluorenone hydrazone13629-22-630 % similar

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

Same formula

1,7-Naphthyridin-8-amine17965-82-1 2-(1H-Imidazol-2-yl)-pyridine18653-75-3 3-(1H-Pyrazol-3-yl)pyridine45887-08-9 3-(1H-Imidazol-5-yl)pyridine51746-85-1 6-Aminoquinoxaline6298-37-9 2-(1H-Pyrazol-3-yl)pyridine75415-03-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook