8-chloroquinolin-2-amine

• ChemBase ID: 248775
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c2c(Cl)cccc2ccc1N
• Canonical SMILES: Nc1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C9H7ClN2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,(H2,11,12)
• InChIKey: CKYLCXRCRTXTJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroquinolin-2-amine
• IUPAC Traditional name: 8-chloroquinolin-2-amine
• Synonyms: 8-chloroquinolin-2-amine

Database IDs

• CAS Number: 343868-74-6
• MDL Number: MFCD08272075
• PubChem SID: 164304685
• PubChem CID: 12703497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4546351
• LogD (pH = 7.4): 2.4998674
• Log P: 2.5004768
• Molar Refractivity: 49.798 cm^3
• Polarizability: 19.971575 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 2.507

Product Information

• Purity: 95%; 98%