quinolin-6-ylmethanamine hydrochloride

• ChemBase ID: 259141
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: n1c2c(cc(cc2)CN)ccc1.Cl
• Canonical SMILES: NCc1ccc2c(c1)cccn2.Cl
• InChI: InChI=1S/C10H10N2.ClH/c11-7-8-3-4-10-9(6-8)2-1-5-12-10;/h1-6H,7,11H2;1H
• InChIKey: LFLZKVGMOFRAED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-6-ylmethanamine hydrochloride
• IUPAC Traditional name: quinolin-6-ylmethanamine hydrochloride
• Synonyms: quinolin-6-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD12828735
• PubChem SID: 164315051
• PubChem CID: 45791317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7434987
• LogD (pH = 7.4): -0.7339935
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.425728 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.981

Product Information

• Purity: 95%