1-(1-aminoethyl)naphthalen-2-ol

• ChemBase ID: 804654
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c1cc2c(cc1)ccc(c2C(C)N)O
• Canonical SMILES: CC(c1c(O)ccc2c1cccc2)N
• InChI: InChI=1S/C12H13NO/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,14H,13H2,1H3
• InChIKey: XMXYXFVQPLWZEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-aminoethyl)naphthalen-2-ol
• IUPAC Traditional name: 1-(1-aminoethyl)naphthalen-2-ol
• Synonyms: 1-(1-AMINO-ETHYL)-NAPHTHALEN-2-OL

Database IDs

• CAS Number: 915866-72-7

CALCULATED PROPERTIES

• Acid pKa: 8.1054125
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7104679
• LogD (pH = 7.4): 0.5186702
• Log P: 1.2276282
• Molar Refractivity: 57.3813 cm^3
• Polarizability: 23.740664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%