N,N,N',N'-tetrakis(2-methylpropyl)propanediamide

• ChemBase ID: 229204
• Molecular Formular: C19H38N2O2
• Molecular Mass: 326.51722
• Monoisotopic Mass: 326.29332847
• SMILES: C(C(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C
• Canonical SMILES: CC(CN(C(=O)CC(=O)N(CC(C)C)CC(C)C)CC(C)C)C
• InChI: InChI=1S/C19H38N2O2/c1-14(2)10-20(11-15(3)4)18(22)9-19(23)21(12-16(5)6)13-17(7)8/h14-17H,9-13H2,1-8H3
• InChIKey: ZABBKBCPKIMSFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N',N'-tetrakis(2-methylpropyl)propanediamide
• IUPAC Traditional name: N,N,N',N'-tetrakis(2-methylpropyl)propanediamide
• Synonyms: N,N,N',N'-Tetraisobutyl-malonamide

Database IDs

• CAS Number: 14287-99-1
• MDL Number: MFCD00032330
• PubChem SID: 164285114
• PubChem CID: 1809489

CALCULATED PROPERTIES

• Acid pKa: 12.602889
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9269145
• LogD (pH = 7.4): 3.9269118
• Log P: 3.9269145
• Molar Refractivity: 97.1958 cm^3
• Polarizability: 38.140415 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 5.043

Product Information

• Purity: 95%