7-chloroquinolin-4-amine

• ChemBase ID: 124737
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: c12c(cc(cc1)Cl)nccc2N
• Canonical SMILES: Clc1ccc2c(c1)nccc2N
• InChI: InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
• InChIKey: NDRZSRWMMUGOBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinolin-4-amine
• IUPAC Traditional name: 7-chloroquinolin-4-amine
• Synonyms: 7-chloroquinolin-4-amine; 4-AMINO-7-CHLOROQUINOLINE

Database IDs

• CAS Number: 1198-40-9
• PubChem SID: 162219090
• PubChem CID: 94711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66078883
• LogD (pH = 7.4): 1.6149452
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.947601 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%