1-amino-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 291961
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: OC1C(N)c2c(cccc2)CC1
• Canonical SMILES: OC1CCc2c(C1N)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
• InChIKey: NBUGQUVHXNWCTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 1-amino-1,2,3,4-tetrahydronaphthalen-2-ol
• Synonyms: 1-Amino-1,2,3,4-tetrahydronaphthalen-2-ol

Database IDs

• CAS Number: 90874-85-4
• MDL Number: MFCD10688387
• PubChem SID: 180677492
• PubChem CID: 4460187

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

Product Information

• Purity: 95+%