ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine

• ChemBase ID: 111413
• Molecular Formular: C10H25N3
• Molecular Mass: 187.3256
• Monoisotopic Mass: 187.20484782
• SMILES: CCNCCN(CC)CCNCC
• Canonical SMILES: CCNCCN(CCNCC)CC
• InChI: InChI=1S/C10H25N3/c1-4-11-7-9-13(6-3)10-8-12-5-2/h11-12H,4-10H2,1-3H3
• InChIKey: ICDOTLXZHXEZNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine
• IUPAC Traditional name: ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine
• Synonyms: 1,4,7-TRIETHYLDIETHYLENETRIAMINE

Database IDs

• CAS Number: 105-93-1
• EC Number: 203-346-2
• PubChem SID: 162096730
• PubChem CID: 66931

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.92322
• LogD (pH = 7.4): -4.5191317
• Log P: 0.5317865
• Molar Refractivity: 59.6827 cm^3
• Polarizability: 23.764492 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219072

MP Biomedicals Rare Chemical collection