2,3-dihydro-1H-isoindol-4-amine

• ChemBase ID: 804523
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: C1NCc2c1cccc2N
• Canonical SMILES: Nc1cccc2c1CNC2
• InChI: InChI=1S/C8H10N2/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5,9H2
• InChIKey: JVJUKIGIRZNFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-isoindol-4-amine
• IUPAC Traditional name: 2,3-dihydro-1H-isoindol-4-amine
• Synonyms: ISOINDOLIN-4-AMINE

Database IDs

• CAS Number: 92203-86-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6622999
• LogD (pH = 7.4): -1.351622
• Log P: 0.453896
• Molar Refractivity: 42.561 cm^3
• Polarizability: 15.957866 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%