2,3-dihydro-1H-isoindole hydrochloride

• ChemBase ID: 271139
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: N1Cc2c(C1)cccc2.Cl
• Canonical SMILES: N1Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C8H9N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H
• InChIKey: NOVIRODZMIZUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-isoindole hydrochloride
• IUPAC Traditional name: isoindoline hydrochloride
• Synonyms: 2,3-dihydro-1H-isoindole hydrochloride; Isoindoline hydrochloride; 2,3-Dihydroisoindole hydrochloride

Database IDs

• CAS Number: 32372-82-0
• MDL Number: MFCD03502377
• PubChem SID: 164327049
• PubChem CID: 12311031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.88294
• LogD (pH = 7.4): -0.75191504
• Log P: 1.2828219
• Molar Refractivity: 37.8606 cm^3
• Polarizability: 14.844857 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.036

Product Information

• Purity: 95%; 95+%; 97%; 98%