2-chloroquinolin-8-amine

• ChemBase ID: 118546
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c2c(N)cccc2ccc1Cl
• Canonical SMILES: Clc1ccc2c(n1)c(N)ccc2
• InChI: InChI=1S/C9H7ClN2/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h1-5H,11H2
• InChIKey: IFHMCZLKPVRCEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7461-11-2
• MDL Number: MFCD15147049
• PubChem SID: 162098072
• PubChem CID: 346519

CALCULATED PROPERTIES

• Acid pKa: 19.615385
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1260636
• LogD (pH = 7.4): 2.1261947
• Log P: 2.1261964
• Molar Refractivity: 50.5458 cm^3
• Polarizability: 20.00849 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.431

Product Information

• Purity: 95+%