methyl[(3-methylfuran-2-yl)methyl]amine

• ChemBase ID: 77752
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: o1c(c(cc1)C)CNC
• Canonical SMILES: CNCc1occc1C
• InChI: InChI=1S/C7H11NO/c1-6-3-4-9-7(6)5-8-2/h3-4,8H,5H2,1-2H3
• InChIKey: KBNPUPCSMGGUHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(3-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(3-methylfuran-2-yl)methyl]amine
• Synonyms: N-methyl(3-methyl-2-furyl)methylamine; N-Methyl(3-methylfur-2-yl)methylamine; 3-Methyl-2-[(methylamino)methyl]furan

Database IDs

• CAS Number: 916766-86-4
• MDL Number: MFCD09879907
• PubChem SID: 162042621
• PubChem CID: 24229550

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6638424
• LogD (pH = 7.4): 0.024089338
• Log P: 1.1052626
• Molar Refractivity: 36.7381 cm^3
• Polarizability: 14.159 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%