1-(oxolan-3-yl)ethan-1-amine

• ChemBase ID: 279624
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(C(N)C)COCC1
• Canonical SMILES: CC(C1COCC1)N
• InChI: InChI=1S/C6H13NO/c1-5(7)6-2-3-8-4-6/h5-6H,2-4,7H2,1H3
• InChIKey: JCIAQQOICXUMNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18366253
• PubChem SID: 164335534
• PubChem CID: 21054629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.217157
• LogD (pH = 7.4): -2.897561
• Log P: -0.19010894
• Molar Refractivity: 32.9313 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.533

Product Information

• Purity: 95%