8-chloroquinolin-5-amine

• ChemBase ID: 77859
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c2c(ccc1)c(ccc2Cl)N
• Canonical SMILES: Nc1ccc(c2c1cccn2)Cl
• InChI: InChI=1S/C9H7ClN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
• InChIKey: GEEHXKRRPLHNCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroquinolin-5-amine
• IUPAC Traditional name: 8-chloroquinolin-5-amine
• Synonyms: 8-Chloroquinolin-5-amine; 5-Amino-8-chloroquinoline; 8-chloro-5-quinolinamine

Database IDs

• CAS Number: 75793-58-7
• MDL Number: MFCD09802113
• PubChem SID: 162104416
• PubChem CID: 12412319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9001975
• LogD (pH = 7.4): 1.9059454
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.966894 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147-149°C

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%