(but-2-yn-1-yl)(furan-2-ylmethyl)amine

• ChemBase ID: 306525
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C(#CC)CNCc1occc1
• Canonical SMILES: CC#CCNCc1ccco1
• InChI: InChI=1S/C9H11NO/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7,10H,6,8H2,1H3
• InChIKey: FDSMZPGOONNAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (but-2-yn-1-yl)(furan-2-ylmethyl)amine
• IUPAC Traditional name: but-2-yn-1-yl(furan-2-ylmethyl)amine
• Synonyms: N-(2-furylmethyl)but-2-yn-1-amine

Database IDs

• CAS Number: 371236-74-7
• MDL Number: MFCD02737458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.103071354
• LogD (pH = 7.4): 1.4172164
• Log P: 1.6563544
• Molar Refractivity: 44.7779 cm^3
• Polarizability: 16.82442 Å^3
• Polar Surface Area: 25.17 Å^2