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

• ChemBase ID: 15401
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: O1C(COCCN)CCC1
• Canonical SMILES: NCCOCC1CCCO1
• InChI: InChI=1S/C7H15NO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6,8H2
• InChIKey: VGFPQGITBRBQAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06248788
• PubChem SID: 160978708
• PubChem CID: 20113765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2369485
• LogD (pH = 7.4): -2.261254
• Log P: -0.25384533
• Molar Refractivity: 39.217 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): -0.029

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%