(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 237039
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12[C@H]([C@H](CCc1cccc2)O)N
• Canonical SMILES: O[C@H]1CCc2c([C@H]1N)cccc2
• InChI: InChI=1S/C10H13NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1
• InChIKey: NBUGQUVHXNWCTQ-VHSXEESVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: (1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol
• Synonyms: cis-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol

Database IDs

• MDL Number: MFCD04037473
• PubChem SID: 164292949
• PubChem CID: 11105684

CALCULATED PROPERTIES

• Acid pKa: 14.503177
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9344428
• LogD (pH = 7.4): -0.7631905
• Log P: 1.0129036
• Molar Refractivity: 48.0747 cm^3
• Polarizability: 19.036724 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.757

Product Information

• Purity: 95%