methyl(oxolan-2-ylmethyl)amine

• ChemBase ID: 260278
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1C(CNC)CCC1
• Canonical SMILES: CNCC1CCCO1
• InChI: InChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6-7H,2-5H2,1H3
• InChIKey: VJUDVVHGQMPPEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: methyl(oxolan-2-ylmethyl)amine
• Synonyms: methyl(oxolan-2-ylmethyl)amine; N-methyl-1-(tetrahydrofuran-2-yl)methanamine

Database IDs

• CAS Number: 2439-57-8
• MDL Number: MFCD00022474
• PubChem SID: 164316188
• PubChem CID: 98090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9821594
• LogD (pH = 7.4): -2.142717
• Log P: 0.22571056
• Molar Refractivity: 32.9481 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): 0.201

Product Information

• Purity: 95%