[2-(tert-butoxy)ethyl](methyl)amine

• ChemBase ID: 240617
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(OCCNC)(C)(C)C
• Canonical SMILES: CNCCOC(C)(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2,3)9-6-5-8-4/h8H,5-6H2,1-4H3
• InChIKey: RCESGBQILBSYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(tert-butoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(tert-butoxy)ethyl](methyl)amine
• Synonyms: [2-(tert-butoxy)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD03453521
• PubChem SID: 164296527
• PubChem CID: 53413892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3809173
• LogD (pH = 7.4): -1.4265273
• Log P: 0.8141057
• Molar Refractivity: 39.5425 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.869

Product Information

• Purity: 95%