6-chloro-3-methylquinolin-2-amine

• ChemBase ID: 816072
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c1cc2c(cc1Cl)cc(c(n2)N)C
• Canonical SMILES: Clc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C10H9ClN2/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
• InChIKey: VHUGVEXJEVUWSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methylquinolin-2-amine
• IUPAC Traditional name: 6-chloro-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-6-CHLORO-3-METHYLQUINOLINE

Database IDs

• CAS Number: 137110-42-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6600063
• LogD (pH = 7.4): 3.0069456
• Log P: 3.0138981
• Molar Refractivity: 54.8392 cm^3
• Polarizability: 21.709421 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%