4-methoxynaphthalen-1-amine hydrochloride

• ChemBase ID: 290376
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: Nc1c2ccccc2c(OC)cc1.Cl
• Canonical SMILES: COc1ccc(c2c1cccc2)N.Cl
• InChI: InChI=1S/C11H11NO.ClH/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;/h2-7H,12H2,1H3;1H
• InChIKey: YGQJOWVRCXFIBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxynaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 4-methoxynaphthalen-1-amine hydrochloride
• Synonyms: 4-Methoxynaphthalen-1-amine hydrochloride

Database IDs

• CAS Number: 92599-05-8
• PubChem SID: 180675907
• PubChem CID: 18783165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9024884
• LogD (pH = 7.4): 1.9751152
• Log P: 1.9761254
• Molar Refractivity: 53.6718 cm^3
• Polarizability: 21.563305 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%