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

• ChemBase ID: 274223
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12c(CC(C1)N)cccc2O
• Canonical SMILES: NC1Cc2c(C1)cccc2O
• InChI: InChI=1S/C9H11NO/c10-7-4-6-2-1-3-9(11)8(6)5-7/h1-3,7,11H,4-5,10H2
• InChIKey: MKMYGMZCCPQLER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838754
• PubChem SID: 164330133
• PubChem CID: 13808882

CALCULATED PROPERTIES

• Acid pKa: 10.38416
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8114666
• LogD (pH = 7.4): -0.9365827
• Log P: 0.85139245
• Molar Refractivity: 44.2471 cm^3
• Polarizability: 17.100391 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.651

Product Information

• Purity: 95%