1-(pyridin-2-yl)butan-1-amine

• ChemBase ID: 270201
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(C(N)CCC)cccc1
• Canonical SMILES: CCCC(c1ccccn1)N
• InChI: InChI=1S/C9H14N2/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3
• InChIKey: BFKHSLAQEYFTPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)butan-1-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)butan-1-amine
• Synonyms: 1-(pyridin-2-yl)butan-1-amine

Database IDs

• MDL Number: MFCD08705794
• PubChem SID: 164326111
• PubChem CID: 22767593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3523273
• LogD (pH = 7.4): 0.077716425
• Log P: 1.498669
• Molar Refractivity: 45.4712 cm^3
• Polarizability: 18.343742 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.964

Product Information

• Purity: 95%