3-(2-aminopropoxy)oxolane

• ChemBase ID: 236579
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: O1CCC(OCC(N)C)C1
• Canonical SMILES: CC(COC1COCC1)N
• InChI: InChI=1S/C7H15NO2/c1-6(8)4-10-7-2-3-9-5-7/h6-7H,2-5,8H2,1H3
• InChIKey: XYMTXWOHZOBDGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminopropoxy)oxolane
• IUPAC Traditional name: 3-(2-aminopropoxy)oxolane
• Synonyms: 3-(2-aminopropoxy)oxolane

Database IDs

• MDL Number: MFCD18364720
• PubChem SID: 164292489
• PubChem CID: 63558631

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3581347
• LogD (pH = 7.4): -2.56972
• Log P: -0.354633
• Molar Refractivity: 38.9912 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.339

Product Information

• Purity: 95%