1-(quinolin-2-yl)propan-2-amine dihydrochloride

• ChemBase ID: 242618
• Molecular Formular: C12H16Cl2N2
• Molecular Mass: 259.17484
• Monoisotopic Mass: 258.06905388
• SMILES: n1c2c(ccc1CC(N)C)cccc2.Cl.Cl
• Canonical SMILES: CC(Cc1ccc2c(n1)cccc2)N.Cl.Cl
• InChI: InChI=1S/C12H14N2.2ClH/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)14-11;;/h2-7,9H,8,13H2,1H3;2*1H
• InChIKey: MNMKROQJJMDJGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(quinolin-2-yl)propan-2-amine dihydrochloride
• IUPAC Traditional name: 1-(quinolin-2-yl)propan-2-amine dihydrochloride
• Synonyms: 1-(quinolin-2-yl)propan-2-amine dihydrochloride

Database IDs

• MDL Number: MFCD22566073
• PubChem SID: 164298528
• PubChem CID: 71757054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0230297
• LogD (pH = 7.4): -0.34885573
• Log P: 1.9917285
• Molar Refractivity: 57.0487 cm^3
• Polarizability: 24.036673 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.629

Product Information

• Purity: 95%