quinolin-3-ylmethanamine hydrochloride

• ChemBase ID: 264104
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: n1c2c(cc(c1)CN)cccc2.Cl
• Canonical SMILES: NCc1cnc2c(c1)cccc2.Cl
• InChI: InChI=1S/C10H10N2.ClH/c11-6-8-5-9-3-1-2-4-10(9)12-7-8;/h1-5,7H,6,11H2;1H
• InChIKey: JZAPBZVMLZMIHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-3-ylmethanamine hydrochloride
• IUPAC Traditional name: quinolin-3-ylmethanamine hydrochloride
• Synonyms: quinolin-3-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD08061345
• PubChem SID: 164320014
• PubChem CID: 44784878

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6866095
• LogD (pH = 7.4): -0.49652582
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.426117 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%