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

• ChemBase ID: 814641
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: Cl.C1NCc2c1cccc2N
• Canonical SMILES: Nc1cccc2c1CNC2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5,9H2;1H
• InChIKey: AHKXBWVFGYQNQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 92259-85-3

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%