2-hydroxynaphthalen-1-aminium chloride

• ChemBase ID: 294011
• Molecular Formular: C10H9ClNO
• Molecular Mass: 194.63756
• Monoisotopic Mass: 194.03726659
• SMILES: c1cc(c([NH2+])c2ccccc12)O.[Cl-]
• Canonical SMILES: Oc1ccc2c(c1[NH2+])cccc2.[Cl-]
• InChI: InChI=1S/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H
• InChIKey: DEKREBCFNLUULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxynaphthalen-1-aminium chloride
• IUPAC Traditional name: 2-hydroxynaphthalen-1-aminium chloride
• Synonyms: 1-Aminonaphthalen-2-ol hydrochloride

Database IDs

• CAS Number: 1198-27-2
• MDL Number: MFCD00012561
• PubChem SID: 180679542
• PubChem CID: 14534

CALCULATED PROPERTIES

• Acid pKa: 10.127268
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.8109019
• LogD (pH = 7.4): 1.8291221
• Log P: 1.8302313
• Molar Refractivity: 59.4203 cm^3
• Polarizability: 19.943617 Å^3
• Polar Surface Area: 47.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%