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

• ChemBase ID: 243791
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: N1(Cc2c(C1)cccc2)N.Cl
• Canonical SMILES: NN1Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-10-5-7-3-1-2-4-8(7)6-10;/h1-4H,5-6,9H2;1H
• InChIKey: AIKFLHOJAHSLAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18206755
• PubChem SID: 164299701
• PubChem CID: 23342936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23265705
• LogD (pH = 7.4): 0.60023844
• Log P: 0.6076802
• Molar Refractivity: 42.3447 cm^3
• Polarizability: 16.150808 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.176

Product Information

• Purity: 95%