7-chloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride

• ChemBase ID: 237558
• Molecular Formular: C8H9Cl2NO
• Molecular Mass: 206.06916
• Monoisotopic Mass: 205.00611927
• SMILES: c12OCC(c1cccc2Cl)N.Cl
• Canonical SMILES: NC1COc2c1cccc2Cl.Cl
• InChI: InChI=1S/C8H8ClNO.ClH/c9-6-3-1-2-5-7(10)4-11-8(5)6;/h1-3,7H,4,10H2;1H
• InChIKey: ZYALWTPSNQGZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
• IUPAC Traditional name: 7-chloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
• Synonyms: 7-chloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Database IDs

• MDL Number: MFCD08544180
• PubChem SID: 164293468
• PubChem CID: 71432687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3357326
• LogD (pH = 7.4): 0.20372301
• Log P: 1.4336298
• Molar Refractivity: 43.5006 cm^3
• Polarizability: 17.37018 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 1.703

Product Information

• Purity: 95%