ethyl(oxolan-3-ylmethyl)amine

• ChemBase ID: 258749
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1CC(CNCC)CC1
• Canonical SMILES: CCNCC1COCC1
• InChI: InChI=1S/C7H15NO/c1-2-8-5-7-3-4-9-6-7/h7-8H,2-6H2,1H3
• InChIKey: XUBOPJGJMYXBDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxolan-3-ylmethyl)amine
• IUPAC Traditional name: ethyl(oxolan-3-ylmethyl)amine
• Synonyms: ethyl(oxolan-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD09054805
• PubChem SID: 164314659
• PubChem CID: 22355252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.052311
• LogD (pH = 7.4): -2.69931
• Log P: 0.18270439
• Molar Refractivity: 38.0357 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.167

Product Information

• Purity: 95%