(2-methoxyethyl)(oxolan-2-ylmethyl)amine

• ChemBase ID: 33081
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: O1C(CNCCOC)CCC1
• Canonical SMILES: COCCNCC1CCCO1
• InChI: InChI=1S/C8H17NO2/c1-10-6-4-9-7-8-3-2-5-11-8/h8-9H,2-7H2,1H3
• InChIKey: XFMVWTLWOAPUIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(oxolan-2-ylmethyl)amine
• Synonyms: N-(2-Methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-amine; (2-methoxyethyl)(tetrahydrofuran-2-ylmethyl)amine

Database IDs

• CAS Number: 55100-02-2
• MDL Number: MFCD08059959
• PubChem SID: 160996388
• PubChem CID: 25218868

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9503136
• LogD (pH = 7.4): -1.6778886
• Log P: 0.17873505
• Molar Refractivity: 43.9916 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false