3-(3-aminopropoxy)oxolane

• ChemBase ID: 237357
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: O1CCC(OCCCN)C1
• Canonical SMILES: NCCCOC1COCC1
• InChI: InChI=1S/C7H15NO2/c8-3-1-4-10-7-2-5-9-6-7/h7H,1-6,8H2
• InChIKey: DCPBPDHUYSLFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminopropoxy)oxolane
• IUPAC Traditional name: 3-(3-aminopropoxy)oxolane
• Synonyms: 3-(3-aminopropoxy)oxolane

Database IDs

• MDL Number: MFCD18364653
• PubChem SID: 164293267
• PubChem CID: 63558018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7337081
• LogD (pH = 7.4): -3.2716389
• Log P: -0.7112483
• Molar Refractivity: 39.4378 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): -0.321

Product Information

• Purity: 95%