(3-aminopropyl)(furan-2-ylmethyl)amine

• ChemBase ID: 24389
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(occc1)CNCCCN
• Canonical SMILES: NCCCNCc1ccco1
• InChI: InChI=1S/C8H14N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,4-5,7,9H2
• InChIKey: CJYLPHZWTNERHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(furan-2-ylmethyl)amine
• IUPAC Traditional name: (3-aminopropyl)(furan-2-ylmethyl)amine
• Synonyms: N1-(2-Furylmethyl)-1,3-propanediamine

Database IDs

• MDL Number: MFCD06213178
• PubChem SID: 160987696
• PubChem CID: 20446494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.092861
• LogD (pH = 7.4): -3.053275
• Log P: -0.14518277
• Molar Refractivity: 44.5121 cm^3
• Polarizability: 17.606663 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false