1-(furan-2-yl)propan-2-amine

• ChemBase ID: 24798
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: c1(occc1)CC(N)C
• Canonical SMILES: CC(Cc1ccco1)N
• InChI: InChI=1S/C7H11NO/c1-6(8)5-7-3-2-4-9-7/h2-4,6H,5,8H2,1H3
• InChIKey: IDUAQSPIDXGMKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)propan-2-amine
• IUPAC Traditional name: 1-(furan-2-yl)propan-2-amine
• Synonyms: 1-(2-Furyl)propan-2-amine; [2-(2-furyl)-1-methylethyl]amine; 1-(furan-2-yl)propan-2-amine

Database IDs

• CAS Number: 57580-64-0
• MDL Number: MFCD05240377
• PubChem SID: 160988105
• PubChem CID: 2772203

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3701406
• LogD (pH = 7.4): -1.6115421
• Log P: 0.63579565
• Molar Refractivity: 36.2065 cm^3
• Polarizability: 14.163305 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.077
• Hydrophobicity(logP): 0.918

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%