N-methylquinolin-3-amine

• ChemBase ID: 275294
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c2c(cc(c1)NC)cccc2
• Canonical SMILES: CNc1cnc2c(c1)cccc2
• InChI: InChI=1S/C10H10N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-7,11H,1H3
• InChIKey: LDSALEAEBWQIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylquinolin-3-amine
• IUPAC Traditional name: N-methylquinolin-3-amine
• Synonyms: N-methylquinolin-3-amine

Database IDs

• CAS Number: 343330-71-2
• MDL Number: MFCD10697836
• PubChem SID: 164331204
• PubChem CID: 12548159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.524064
• LogD (pH = 7.4): 1.6025695
• Log P: 1.6036786
• Molar Refractivity: 50.1731 cm^3
• Polarizability: 20.007359 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.5

Product Information

• Purity: 95%; 98%