[2-(dimethylamino)ethyl](furan-2-ylmethyl)amine

• ChemBase ID: 13557
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: c1cc(oc1)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1ccco1)C
• InChI: InChI=1S/C9H16N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
• InChIKey: FSUKHKIOJCSGHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](furan-2-ylmethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](furan-2-ylmethyl)amine
• Synonyms: [2-(dimethylamino)ethyl](furan-2-ylmethyl)amine; N'-Furan-2-ylmethyl-N,N-dimethyl-ethane-1,2-diamine

Database IDs

• MDL Number: MFCD03856648
• PubChem SID: 160976864
• PubChem CID: 5007494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4650238
• LogD (pH = 7.4): -0.7669729
• Log P: 0.6104858
• Molar Refractivity: 49.716 cm^3
• Polarizability: 19.44995 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.066

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%