[1-(furan-2-yl)ethyl](methyl)amine

• ChemBase ID: 17433
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: c1(C(NC)C)ccco1
• Canonical SMILES: CNC(c1ccco1)C
• InChI: InChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
• InChIKey: BNBCJNJOLJAPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(furan-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(furan-2-yl)ethyl](methyl)amine
• Synonyms: (1-Furan-2-yl-ethyl)-methyl-amine; [1-(furan-2-yl)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD06752460
• PubChem SID: 160980740
• PubChem CID: 3161863

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7686517
• LogD (pH = 7.4): -0.08376957
• Log P: 1.0084163
• Molar Refractivity: 36.1157 cm^3
• Polarizability: 14.237279 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.995

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%