1-amino-2,3-dihydro-1H-inden-4-ol

• ChemBase ID: 269674
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12c(C(CC1)N)cccc2O
• Canonical SMILES: NC1CCc2c1cccc2O
• InChI: InChI=1S/C9H11NO/c10-8-5-4-7-6(8)2-1-3-9(7)11/h1-3,8,11H,4-5,10H2
• InChIKey: GWFKPABLUSNUAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2,3-dihydro-1H-inden-4-ol
• IUPAC Traditional name: 1-amino-2,3-dihydro-1H-inden-4-ol
• Synonyms: 1-amino-2,3-dihydro-1H-inden-4-ol

Database IDs

• MDL Number: MFCD09947535
• PubChem SID: 164325584
• PubChem CID: 14873465

CALCULATED PROPERTIES

• Acid pKa: 9.930763
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6332318
• LogD (pH = 7.4): -0.5926183
• Log P: 0.7791452
• Molar Refractivity: 44.0931 cm^3
• Polarizability: 17.176811 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 0.841

Product Information

• Purity: 95%