6,9-diethyl-3,6,9,12-tetraazatetradecane

• ChemBase ID: 111421
• Molecular Formular: C14H34N4
• Molecular Mass: 258.44656
• Monoisotopic Mass: 258.27834711
• SMILES: CCNCCN(CC)CCN(CC)CCNCC
• Canonical SMILES: CCNCCN(CCN(CCNCC)CC)CC
• InChI: InChI=1S/C14H34N4/c1-5-15-9-11-17(7-3)13-14-18(8-4)12-10-16-6-2/h15-16H,5-14H2,1-4H3
• InChIKey: KNXIWMSXJQSWRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diethyl-3,6,9,12-tetraazatetradecane
• IUPAC Traditional name: 6,9-diethyl-3,6,9,12-tetraazatetradecane
• Synonyms: 1,4,7,10-TETRAETHYLTRIETHYLENETETRAMINE

Database IDs

• PubChem SID: 162105778
• PubChem CID: 14382090

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -7.007496
• LogD (pH = 7.4): -4.316468
• Log P: 0.90723896
• Molar Refractivity: 82.4504 cm^3
• Polarizability: 32.67011 Å^3
• Polar Surface Area: 30.54 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219115

MP Biomedicals Rare Chemical collection