N-butyl-6-chloropyridin-2-amine

• ChemBase ID: 49308
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1c(NCCCC)cccc1Cl
• Canonical SMILES: CCCCNc1cccc(n1)Cl
• InChI: InChI=1S/C9H13ClN2/c1-2-3-7-11-9-6-4-5-8(10)12-9/h4-6H,2-3,7H2,1H3,(H,11,12)
• InChIKey: USTUJGHQNNYOPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-6-chloropyridin-2-amine
• IUPAC Traditional name: N-butyl-6-chloropyridin-2-amine
• Synonyms: N-Butyl-6-chloro-2-pyridinamine

Database IDs

• MDL Number: MFCD13562373
• PubChem SID: 162054071
• PubChem CID: 53410843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9702263
• LogD (pH = 7.4): 2.970921
• Log P: 2.9709299
• Molar Refractivity: 54.1481 cm^3
• Polarizability: 19.862717 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false