5-amino-5,6,7,8-tetrahydronaphthalen-2-ol

• ChemBase ID: 806412
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1Cc2c(C(C1)N)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)CCCC2N
• InChI: InChI=1S/C10H13NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h4-6,10,12H,1-3,11H2
• InChIKey: OGCNDVHUWVSJRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-5,6,7,8-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 5-amino-5,6,7,8-tetrahydronaphthalen-2-ol
• Synonyms: 5-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL

Database IDs

• CAS Number: 765861-94-7

CALCULATED PROPERTIES

• Acid pKa: 9.243448
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2180382
• LogD (pH = 7.4): -0.4186985
• Log P: 1.0721493
• Molar Refractivity: 48.6941 cm^3
• Polarizability: 19.02094 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%