6-chloroquinolin-2-amine

• ChemBase ID: 52812
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: c1(ccc2c(c1)ccc(n2)N)Cl
• Canonical SMILES: Clc1ccc2c(c1)ccc(n2)N
• InChI: InChI=1S/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
• InChIKey: QXGSBXTUXCTJII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinolin-2-amine
• IUPAC Traditional name: 6-chloroquinolin-2-amine
• Synonyms: 6-Chloroquinolin-2-amine

Database IDs

• CAS Number: 18672-02-1
• MDL Number: MFCD08235108
• PubChem SID: 162057575
• PubChem CID: 14067425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3150446
• LogD (pH = 7.4): 2.4975524
• Log P: 2.5004768
• Molar Refractivity: 49.798 cm^3
• Polarizability: 19.944386 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%; 98%