1-ethoxy-2-methylpropan-2-amine

• ChemBase ID: 277548
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(N)(COCC)(C)C
• Canonical SMILES: CCOCC(N)(C)C
• InChI: InChI=1S/C6H15NO/c1-4-8-5-6(2,3)7/h4-5,7H2,1-3H3
• InChIKey: CSHMRHZWHFQJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-methylpropan-2-amine
• IUPAC Traditional name: 1-ethoxy-2-methylpropan-2-amine
• Synonyms: 1-ethoxy-2-methylpropan-2-amine; (2-ethoxy-1,1-dimethylethyl)amine

Database IDs

• CAS Number: 89585-15-9
• MDL Number: MFCD11053901
• PubChem SID: 164333458
• PubChem CID: 28064609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.634503
• LogD (pH = 7.4): -2.030557
• Log P: 0.38152528
• Molar Refractivity: 34.7679 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.565

Product Information

• Purity: 95%