6-methoxyquinolin-4-amine

• ChemBase ID: 87893
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1ccc(c2cc(ccc12)OC)N
• Canonical SMILES: COc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C10H10N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3,(H2,11,12)
• InChIKey: PHGNGVYUHOARGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-4-amine
• IUPAC Traditional name: 6-methoxyquinolin-4-amine
• Synonyms: 4-Amino-6-methoxyquinoline

Database IDs

• CAS Number: 6279-51-2
• MDL Number: MFCD00473716
• PubChem SID: 162074933
• PubChem CID: 223614

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.18504485
• LogD (pH = 7.4): 0.29061848
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.61897 Å^3
• Polar Surface Area: 48.14 Å^2

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%