6-methoxyquinolin-3-amine hydrochloride

• ChemBase ID: 88831
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: n1cc(cc2cc(ccc12)OC)N.Cl
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)N.Cl
• InChI: InChI=1S/C10H10N2O.ClH/c1-13-9-2-3-10-7(5-9)4-8(11)6-12-10;/h2-6H,11H2,1H3;1H
• InChIKey: IUHXPYBCYZGZPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-3-amine hydrochloride
• IUPAC Traditional name: 6-methoxyquinolin-3-amine hydrochloride
• Synonyms: 6-Methoxyquinolin-3-amine hydrochloride; 3-Amino-6-methoxyquinoline hydrochloride

Database IDs

• PubChem SID: 162104654
• PubChem CID: 17040068

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0231011
• LogD (pH = 7.4): 1.1425198
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.6212 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

• Purity: 98%