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

• ChemBase ID: 799719
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: Cl.C1(Cc2c(CC1)ccc(c2)O)N
• Canonical SMILES: NC1Cc2cc(O)ccc2CC1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h2,4,6,9,12H,1,3,5,11H2;1H
• InChIKey: OOYNMFGNMGTBIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
• IUPAC Traditional name: 7-amino-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
• Synonyms: 7-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol hydrochloride

Database IDs

• CAS Number: 942077-83-0

CALCULATED PROPERTIES

• Acid pKa: 10.531953
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3897947
• LogD (pH = 7.4): -0.82739735
• Log P: 1.1801972
• Molar Refractivity: 48.8481 cm^3
• Polarizability: 18.944468 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true