7-methoxyquinolin-3-amine dihydrochloride

• ChemBase ID: 88832
• Molecular Formular: C10H12Cl2N2O
• Molecular Mass: 247.12108
• Monoisotopic Mass: 246.03266837
• SMILES: n1cc(cc2ccc(cc12)OC)N.Cl.Cl
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)N.Cl.Cl
• InChI: InChI=1S/C10H10N2O.2ClH/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9;;/h2-6H,11H2,1H3;2*1H
• InChIKey: AEJDHBQUHLDBMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 7-methoxyquinolin-3-amine dihydrochloride
• Synonyms: 7-Methoxyquinolin-3-amine dihydrochloride; 3-Amino-7-methoxyquinoline dihydrochloride; 7-methoxyquinolin-3-amine dihydrochloride

Database IDs

• CAS Number: 1216228-63-5
• PubChem SID: 162075730
• PubChem CID: 51052038

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9719515
• LogD (pH = 7.4): 1.1415858
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.620771 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon

Product Information

• Salt Data: 2 HCl