7-chloro-8-methylquinolin-2-amine

• ChemBase ID: 247118
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12nc(N)ccc2ccc(c1C)Cl
• Canonical SMILES: Nc1ccc2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C10H9ClN2/c1-6-8(11)4-2-7-3-5-9(12)13-10(6)7/h2-5H,1H3,(H2,12,13)
• InChIKey: CBOIWBHSUDFVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methylquinolin-2-amine
• IUPAC Traditional name: 7-chloro-8-methylquinolin-2-amine
• Synonyms: 7-chloro-8-methylquinolin-2-amine

Database IDs

• MDL Number: MFCD19678611
• PubChem SID: 164303028
• PubChem CID: 64209528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7984984
• LogD (pH = 7.4): 3.0103693
• Log P: 3.0138981
• Molar Refractivity: 54.8392 cm^3
• Polarizability: 21.714464 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 3.006

Product Information

• Purity: 95%