bis(furan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 122609
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: c1(occc1)CNCc1occc1.Cl
• Canonical SMILES: N(Cc1ccco1)Cc1ccco1.Cl
• InChI: InChI=1S/C10H11NO2.ClH/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;/h1-6,11H,7-8H2;1H
• InChIKey: GTYRBIBVHCFROL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(furan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: bis(furan-2-ylmethyl)amine hydrochloride
• Synonyms: bis(furan-2-ylmethyl)amine hydrochloride

Database IDs

• PubChem SID: 162216962
• PubChem CID: 17331113

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

Product Information

• Salt Data: HCl