bis(furan-2-ylmethyl)amine

• ChemBase ID: 241463
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: c1(occc1)CNCc1occc1
• Canonical SMILES: N(Cc1ccco1)Cc1ccco1
• InChI: InChI=1S/C10H11NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
• InChIKey: LGTHRBXRBOVOKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(furan-2-ylmethyl)amine
• IUPAC Traditional name: bis(furan-2-ylmethyl)amine
• Synonyms: N,N-bis(2-furylmethyl)amine; 1-(2-furyl)-N-(2-furylmethyl)methanamine

Database IDs

• CAS Number: 18240-50-1
• MDL Number: MFCD00457144
• PubChem SID: 164297373
• PubChem CID: 557214

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15927929
• LogD (pH = 7.4): 1.2985533
• Log P: 1.376561
• Molar Refractivity: 48.7004 cm^3
• Polarizability: 18.855862 Å^3
• Polar Surface Area: 38.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.02

Product Information

• Purity: 95%