N,N,N',N'-tetrakis(2-hydroxyethyl)hexanediamide

• ChemBase ID: 289341
• Molecular Formular: C14H28N2O6
• Molecular Mass: 320.38192
• Monoisotopic Mass: 320.19473663
• SMILES: O=C(N(CCO)CCO)CCCCC(=O)N(CCO)CCO
• Canonical SMILES: OCCN(C(=O)CCCCC(=O)N(CCO)CCO)CCO
• InChI: InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2
• InChIKey: OKRNLSUTBJUVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N',N'-tetrakis(2-hydroxyethyl)hexanediamide
• IUPAC Traditional name: N,N,N',N'-tetrakis(2-hydroxyethyl)hexanediamide
• Synonyms: N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)adipamide

Database IDs

• CAS Number: 6334-25-4
• MDL Number: MFCD07787618
• PubChem SID: 180674872
• PubChem CID: 95283

CALCULATED PROPERTIES

• Acid pKa: 14.972066
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -2.988935
• LogD (pH = 7.4): -2.9889348
• Log P: -2.9889348
• Molar Refractivity: 81.1394 cm^3
• Polarizability: 31.552973 Å^3
• Polar Surface Area: 121.54 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%