(5-chlorofuran-2-yl)methanamine

• ChemBase ID: 245979
• Molecular Formular: C5H6ClNO
• Molecular Mass: 131.56024
• Monoisotopic Mass: 131.0137915
• SMILES: c1(oc(cc1)CN)Cl
• Canonical SMILES: NCc1ccc(o1)Cl
• InChI: InChI=1S/C5H6ClNO/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
• InChIKey: SGAVYGQUYIXUJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chlorofuran-2-yl)methanamine
• IUPAC Traditional name: (5-chlorofuran-2-yl)methanamine
• Synonyms: (5-chloro-2-furyl)methylamine

Database IDs

• MDL Number: MFCD06660775
• PubChem SID: 164301889
• PubChem CID: 4961891

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9276748
• LogD (pH = 7.4): -0.23433542
• Log P: 0.47831622
• Molar Refractivity: 31.7282 cm^3
• Polarizability: 12.545604 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.983

Product Information

• Purity: 95%