[2-(furan-2-yl)cyclopropyl]methanamine

• ChemBase ID: 273257
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: C1(CC1CN)c1occc1
• Canonical SMILES: NCC1CC1c1ccco1
• InChI: InChI=1S/C8H11NO/c9-5-6-4-7(6)8-2-1-3-10-8/h1-3,6-7H,4-5,9H2
• InChIKey: BLCMHHXNGQBHQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [2-(furan-2-yl)cyclopropyl]methanamine
• Synonyms: [2-(furan-2-yl)cyclopropyl]methanamine

Database IDs

• MDL Number: MFCD16300741
• PubChem SID: 164329167
• PubChem CID: 53275631

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.461858
• LogD (pH = 7.4): -1.9417516
• Log P: 0.5582344
• Molar Refractivity: 38.9723 cm^3
• Polarizability: 15.2759 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.893

Product Information

• Purity: 95%