[2-(furan-2-yl)ethyl](prop-2-en-1-yl)amine

• ChemBase ID: 248310
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(occc1)CCNCC=C
• Canonical SMILES: C=CCNCCc1ccco1
• InChI: InChI=1S/C9H13NO/c1-2-6-10-7-5-9-4-3-8-11-9/h2-4,8,10H,1,5-7H2
• InChIKey: JXHBTXFCUCDFOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)ethyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [2-(furan-2-yl)ethyl](prop-2-en-1-yl)amine
• Synonyms: [2-(furan-2-yl)ethyl](prop-2-en-1-yl)amine

Database IDs

• MDL Number: MFCD16661747
• PubChem SID: 164304220
• PubChem CID: 60695087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6808755
• LogD (pH = 7.4): -0.2529083
• Log P: 1.3830508
• Molar Refractivity: 45.725 cm^3
• Polarizability: 17.611664 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.529

Product Information

• Purity: 95%