3-amino-3-(naphthalen-2-yl)propan-1-ol

• ChemBase ID: 813371
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: C(CC(c1ccc2c(cccc2)c1)N)O
• Canonical SMILES: OCCC(c1ccc2c(c1)cccc2)N
• InChI: InChI=1S/C13H15NO/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7-8,14H2
• InChIKey: KCFXGMLFKOPOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-(naphthalen-2-yl)propan-1-ol
• IUPAC Traditional name: 3-amino-3-(naphthalen-2-yl)propan-1-ol
• Synonyms: 3-AMINO-3-NAPHTHALEN-2-YL-PROPAN-1-OL

Database IDs

• CAS Number: 683220-51-1

CALCULATED PROPERTIES

• Acid pKa: 15.912957
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4515762
• LogD (pH = 7.4): -0.38954848
• Log P: 1.5181158
• Molar Refractivity: 61.8095 cm^3
• Polarizability: 25.603823 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%