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

• ChemBase ID: 83272
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: NC1C(Cc2ccccc12)O
• Canonical SMILES: NC1C(O)Cc2c1cccc2
• InChI: InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2
• InChIKey: LOPKSXMQWBYUOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2,3-dihydro-1H-inden-2-ol
• IUPAC Traditional name: 1-amino-2,3-dihydro-1H-inden-2-ol
• Synonyms: 1-Aminoindan-2-ol; 1-Amino-2-hydroxyindane; 1-aminoindan-2-ol

Database IDs

• CAS Number: 7480-35-5; 74165-73-4
• MDL Number: MFCD00053472
• PubChem SID: 162070391
• PubChem CID: 139034

CALCULATED PROPERTIES

• Acid pKa: 14.380486
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3743553
• LogD (pH = 7.4): -1.1841465
• Log P: 0.5683349
• Molar Refractivity: 43.4737 cm^3
• Polarizability: 17.190062 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 121°C
• Hydrophobicity(logP): 0.348

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%