6-chloro-2-methylquinolin-4-amine

• ChemBase ID: 117239
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12c(nc(cc1N)C)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C10H9ClN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: LEQBRGIPLABKAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-chloro-2-methylquinolin-4-amine
• Synonyms: 6-Chloro-2-methylquinolin-4-amine; 6-chloro-2-methyl-4-quinolinamine; 4-AMINO-6-CHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 66735-24-8
• MDL Number: MFCD09787712
• PubChem SID: 162102114
• PubChem CID: 12411655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31794536
• LogD (pH = 7.4): 1.4051472
• Log P: 2.0373893
• Molar Refractivity: 54.076 cm^3
• Polarizability: 21.707663 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.359

Product Information

• Purity: 95+%; 98%