2-(oxolan-3-ylmethoxy)ethan-1-amine

• ChemBase ID: 272849
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: O1CC(COCCN)CC1
• Canonical SMILES: NCCOCC1COCC1
• InChI: InChI=1S/C7H15NO2/c8-2-4-10-6-7-1-3-9-5-7/h7H,1-6,8H2
• InChIKey: TWLLBYZEAZIMEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-ylmethoxy)ethan-1-amine
• IUPAC Traditional name: 2-(oxolan-3-ylmethoxy)ethanamine
• Synonyms: 2-(oxolan-3-ylmethoxy)ethan-1-amine

Database IDs

• MDL Number: MFCD06248789
• PubChem SID: 164328759
• PubChem CID: 54592678

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6367693
• LogD (pH = 7.4): -2.661123
• Log P: -0.65365946
• Molar Refractivity: 39.556 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.85

Product Information

• Purity: 95%