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

• ChemBase ID: 83282
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: OC1C(Cc2ccccc12)N
• Canonical SMILES: OC1C(N)Cc2c1cccc2
• InChI: InChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2
• InChIKey: HRWCWYGWEVVDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 13575-72-9
• MDL Number: MFCD08544057
• PubChem SID: 162070401
• PubChem CID: 85794

CALCULATED PROPERTIES

• Acid pKa: 13.86959
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3990235
• LogD (pH = 7.4): -1.3238679
• Log P: 0.5683349
• Molar Refractivity: 43.4737 cm^3
• Polarizability: 17.189144 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.43

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%