2-(2-{[2-(diethylamino)ethyl]amino}ethoxy)ethan-1-ol

• ChemBase ID: 270677
• Molecular Formular: C10H24N2O2
• Molecular Mass: 204.30976
• Monoisotopic Mass: 204.18377802
• SMILES: N(CCNCCOCCO)(CC)CC
• Canonical SMILES: OCCOCCNCCN(CC)CC
• InChI: InChI=1S/C10H24N2O2/c1-3-12(4-2)7-5-11-6-9-14-10-8-13/h11,13H,3-10H2,1-2H3
• InChIKey: CFYOVDNMHPZPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{[2-(diethylamino)ethyl]amino}ethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-{[2-(diethylamino)ethyl]amino}ethoxy)ethanol
• Synonyms: 2-(2-{[2-(diethylamino)ethyl]amino}ethoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD12785129
• PubChem SID: 164326587
• PubChem CID: 50987950

CALCULATED PROPERTIES

• Acid pKa: 15.121229
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7311528
• LogD (pH = 7.4): -2.3496501
• Log P: -0.19769555
• Molar Refractivity: 59.5455 cm^3
• Polarizability: 23.511755 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.631

Product Information

• Purity: 95%