2,2,5,5-tetramethyloxolan-3-amine

• ChemBase ID: 247764
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1C(C(CC1(C)C)N)(C)C
• Canonical SMILES: NC1CC(OC1(C)C)(C)C
• InChI: InChI=1S/C8H17NO/c1-7(2)5-6(9)8(3,4)10-7/h6H,5,9H2,1-4H3
• InChIKey: DZFSGYLVKWWWMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,5-tetramethyloxolan-3-amine
• IUPAC Traditional name: 2,2,5,5-tetramethyloxolan-3-amine
• Synonyms: 2,2,5,5-tetramethyloxolan-3-amine; (2,2,5,5-tetramethyltetrahydro-3-furanyl)amine

Database IDs

• MDL Number: MFCD19205865
• PubChem SID: 164303674
• PubChem CID: 55281773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.338165
• LogD (pH = 7.4): -1.6099473
• Log P: 0.6700709
• Molar Refractivity: 41.6429 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.372

Product Information

• Purity: 95%