3-(aminomethyl)quinolin-6-ol

• ChemBase ID: 238857
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c2c(cc(c1)CN)cc(cc2)O
• Canonical SMILES: NCc1cnc2c(c1)cc(cc2)O
• InChI: InChI=1S/C10H10N2O/c11-5-7-3-8-4-9(13)1-2-10(8)12-6-7/h1-4,6,13H,5,11H2
• InChIKey: WNPNBJPVJJMBJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)quinolin-6-ol
• IUPAC Traditional name: 3-(aminomethyl)quinolin-6-ol
• Synonyms: 3-(aminomethyl)quinolin-6-ol

Database IDs

• MDL Number: MFCD19689963
• PubChem SID: 164294767
• PubChem CID: 71695364

CALCULATED PROPERTIES

• Acid pKa: 9.835067
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9933801
• LogD (pH = 7.4): -0.8170778
• Log P: 0.47809154
• Molar Refractivity: 50.4336 cm^3
• Polarizability: 20.951088 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.03

Product Information

• Purity: 95%