quinolin-4-ylmethanamine hydrochloride

• ChemBase ID: 67468
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: n1ccc(c2ccccc12)CN.Cl
• Canonical SMILES: NCc1ccnc2c1cccc2.Cl
• InChI: InChI=1S/C10H10N2.ClH/c11-7-8-5-6-12-10-4-2-1-3-9(8)10;/h1-6H,7,11H2;1H
• InChIKey: WTPUWOBAIWBPGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-4-ylmethanamine hydrochloride; (quinolin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: quinolin-4-ylmethanamine hydrochloride
• Synonyms: 4-Aminomethylquinoline hydrochloride; Quinolin-4-ylMethanaMine hydrochloride; C-Quinolin-4-yl-methylamine hydrochloride

Database IDs

• CAS Number: 1095661-17-8; 5632-13-3
• MDL Number: MFCD05861486
• PubChem SID: 162033203
• PubChem CID: 44784844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7380277
• LogD (pH = 7.4): -0.852104
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.426527 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%