(1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol

• ChemBase ID: 796125
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: [C@H]1([C@@H](c2ccccc2C1)N)O
• Canonical SMILES: N[C@H]1[C@@H](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/t8-,9+/m0/s1
• InChIKey: LOPKSXMQWBYUOI-DTWKUNHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol
• IUPAC Traditional name: (1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol
• Synonyms: (1R,2S)-1-AMino-2,3-dihydro-1H-inden-2-ol

Database IDs

• CAS Number: 136030-00-7

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

Product Information

• Purity: 98%