(1R)-1-(furan-2-yl)ethan-1-amine

• ChemBase ID: 173735
• Molecular Formular: C6H9NO
• Molecular Mass: 111.14176
• Monoisotopic Mass: 111.06841391
• SMILES: c1cc(oc1)[C@H](N)C
• Canonical SMILES: C[C@H](c1ccco1)N
• InChI: InChI=1S/C6H9NO/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m1/s1
• InChIKey: JYXGCMLOKDKUAX-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(furan-2-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(furan-2-yl)ethanamine
• Synonyms: (αR)-α-Methyl-2-furanmethanamine; (R)-α-Methylfurfurylamine; (1R)-1-(furan-2-yl)ethan-1-amine

Database IDs

• CAS Number: 132523-44-5
• MDL Number: MFCD09256705
• PubChem SID: 164229645
• PubChem CID: 7018134

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.023494
• LogD (pH = 7.4): -0.37047857
• Log P: 0.57583594
• Molar Refractivity: 31.3411 cm^3
• Polarizability: 12.395025 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.579

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - M305460

Used in the enantioselective synthesis of furanyl amines and amino acids.

REFERENCES

• Grisar, J., et al.: J. Med. Chem., 19, 365 (1976)