bis[2-(propan-2-yloxy)ethyl]amine

• ChemBase ID: 34392
• Molecular Formular: C10H23NO2
• Molecular Mass: 189.29512
• Monoisotopic Mass: 189.17287898
• SMILES: N(CCOC(C)C)CCOC(C)C
• Canonical SMILES: CC(OCCNCCOC(C)C)C
• InChI: InChI=1S/C10H23NO2/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-11H,5-8H2,1-4H3
• InChIKey: CEPQYWFGSICCKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[2-(propan-2-yloxy)ethyl]amine
• IUPAC Traditional name: bis(2-isopropoxyethyl)amine
• Synonyms: N,N-Bis(2-isopropoxyethyl)amine

Database IDs

• MDL Number: MFCD06797066
• PubChem SID: 160997699
• PubChem CID: 22450263

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8173407
• LogD (pH = 7.4): -0.4150674
• Log P: 1.2599365
• Molar Refractivity: 55.1152 cm^3
• Polarizability: 22.057634 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false