N-tert-butylnonanamide

• ChemBase ID: 111905
• Molecular Formular: C13H27NO
• Molecular Mass: 213.35958
• Monoisotopic Mass: 213.20926449
• SMILES: CCCCCCCCC(=O)NC(C)(C)C
• Canonical SMILES: CCCCCCCCC(=O)NC(C)(C)C
• InChI: InChI=1S/C13H27NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
• InChIKey: OZOPWLAACOBNRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butylnonanamide
• IUPAC Traditional name: N-tert-butylnonanamide
• Synonyms: N-t-BUTYL PELARGONAMIDE

Database IDs

• CAS Number: 92162-36-2
• PubChem SID: 162097219
• PubChem CID: 277532

CALCULATED PROPERTIES

• Acid pKa: 16.465057
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6152933
• LogD (pH = 7.4): 3.6152952
• Log P: 3.6152952
• Molar Refractivity: 65.4011 cm^3
• Polarizability: 25.89123 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221671

MP Biomedicals Rare Chemical collection