2,6-dichloroquinolin-5-amine

• ChemBase ID: 67161
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: n1c(ccc2c(c(ccc12)Cl)N)Cl
• Canonical SMILES: Clc1ccc2c(n1)ccc(c2N)Cl
• InChI: InChI=1S/C9H6Cl2N2/c10-6-2-3-7-5(9(6)12)1-4-8(11)13-7/h1-4H,12H2
• InChIKey: TVPGXEHODHDXJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloroquinolin-5-amine
• IUPAC Traditional name: 2,6-dichloroquinolin-5-amine
• Synonyms: 2,6-Dichloroquinolin-5-amine

Database IDs

• CAS Number: 607380-28-9
• MDL Number: MFCD09835367
• PubChem SID: 162032897
• PubChem CID: 24820374

CALCULATED PROPERTIES

• Acid pKa: 19.151129
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7301753
• LogD (pH = 7.4): 2.73024
• Log P: 2.730241
• Molar Refractivity: 55.3506 cm^3
• Polarizability: 21.873629 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%