methyl(oxolan-3-ylmethyl)amine

• ChemBase ID: 63739
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1CCC(CNC)C1
• Canonical SMILES: CNCC1COCC1
• InChI: InChI=1S/C6H13NO/c1-7-4-6-2-3-8-5-6/h6-7H,2-5H2,1H3
• InChIKey: ZUGRRINNTXSWBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(oxolan-3-ylmethyl)amine
• IUPAC Traditional name: methyl(oxolan-3-ylmethyl)amine
• Synonyms: N-Methyl-1-(tetrahydrofuran-3-yl)methylamine; 3-[(Methylamino)methyl]tetrahydrofuran 97%; N-methyl-(tetrahydrofuran-3-ylmethyl)amine; methyl(oxolan-3-ylmethyl)amine; N-Methyl(tetrahydrofuran-3-yl)methanamine; N-methyl-1-(tetrahydro-3-furanyl)methanamine

Database IDs

• CAS Number: 7179-93-3
• MDL Number: MFCD09040652
• PubChem SID: 162029478
• PubChem CID: 16228714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4076843
• LogD (pH = 7.4): -3.008298
• Log P: -0.17410356
• Molar Refractivity: 33.2871 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.696

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 97%