(2-methylquinolin-4-yl)methanamine dihydrochloride

• ChemBase ID: 256916
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: n1c2c(c(cc1C)CN)cccc2.Cl.Cl
• Canonical SMILES: NCc1cc(C)nc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C11H12N2.2ClH/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8;;/h2-6H,7,12H2,1H3;2*1H
• InChIKey: AVAORVCXKGFCCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylquinolin-4-yl)methanamine dihydrochloride
• IUPAC Traditional name: (2-methylquinolin-4-yl)methanamine dihydrochloride
• Synonyms: (2-methylquinolin-4-yl)methylamine dihydrochloride

Database IDs

• MDL Number: MFCD11099518
• PubChem SID: 164312826
• PubChem CID: 42946478

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6110243
• LogD (pH = 7.4): -0.7466733
• Log P: 1.3880391
• Molar Refractivity: 53.0442 cm^3
• Polarizability: 22.18747 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 305 - 307°C
• Hydrophobicity(logP): 1.48

Product Information

• Purity: 95%