1-(oxolan-2-yl)ethan-1-amine

• ChemBase ID: 26204
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1C(C(N)C)CCC1
• Canonical SMILES: CC(C1CCCO1)N
• InChI: InChI=1S/C6H13NO/c1-5(7)6-3-2-4-8-6/h5-6H,2-4,7H2,1H3
• InChIKey: WRDLTPMUGXTIAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(oxolan-2-yl)ethanamine
• Synonyms: 1-Tetrahydrofuran-2-ylethanamine

Database IDs

• MDL Number: MFCD03419313
• PubChem SID: 160989511
• PubChem CID: 21843661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7963362
• LogD (pH = 7.4): -2.0390782
• Log P: 0.20970519
• Molar Refractivity: 32.5923 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): 0.224

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%