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

• ChemBase ID: 250196
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: O1C(COCCCN)CCC1
• Canonical SMILES: NCCCOCC1CCCO1
• InChI: InChI=1S/C8H17NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h8H,1-7,9H2
• InChIKey: ZHIAVIDSLPGDOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-2-ylmethoxy)propan-1-amine
• IUPAC Traditional name: 3-(oxolan-2-ylmethoxy)propan-1-amine
• Synonyms: 3-(tetrahydrofuran-2-ylmethoxy)propan-1-amine

Database IDs

• CAS Number: 62035-48-7
• MDL Number: MFCD07339549
• PubChem SID: 164306106
• PubChem CID: 16226723

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2163455
• LogD (pH = 7.4): -2.754281
• Log P: -0.19388561
• Molar Refractivity: 44.0824 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.298

Product Information

• Purity: 95%