(7-bromoquinolin-6-yl)methanamine dihydrochloride

• ChemBase ID: 241104
• Molecular Formular: C10H11BrCl2N2
• Molecular Mass: 310.01774
• Monoisotopic Mass: 307.94826572
• SMILES: c1(c(cc2c(c1)cccn2)Br)CN.Cl.Cl
• Canonical SMILES: NCc1cc2cccnc2cc1Br.Cl.Cl
• InChI: InChI=1S/C10H9BrN2.2ClH/c11-9-5-10-7(2-1-3-13-10)4-8(9)6-12;;/h1-5H,6,12H2;2*1H
• InChIKey: XAMKRYSLQVBTGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-bromoquinolin-6-yl)methanamine dihydrochloride
• IUPAC Traditional name: (7-bromoquinolin-6-yl)methanamine dihydrochloride
• Synonyms: (7-bromoquinolin-6-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD22421813
• PubChem SID: 164297014
• PubChem CID: 71756708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9262065
• LogD (pH = 7.4): 0.24427052
• Log P: 2.0254216
• Molar Refractivity: 56.0755 cm^3
• Polarizability: 22.969538 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 295 - 297°C
• Hydrophobicity(logP): 1.907

Product Information

• Purity: 95%