[2-amino-1-(furan-2-yl)ethyl]diethylamine

• ChemBase ID: 17097
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C(c1ccco1)(N(CC)CC)CN
• Canonical SMILES: NCC(c1ccco1)N(CC)CC
• InChI: InChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
• InChIKey: XIBTZZUXZNNSTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(furan-2-yl)ethyl]diethylamine
• IUPAC Traditional name: [2-amino-1-(furan-2-yl)ethyl]diethylamine
• Synonyms: N~1~,N~1~-diethyl-1-(2-furyl)ethane-1,2-diamine; [2-amino-1-(furan-2-yl)ethyl]diethylamine; N*1*,N*1*-Diethyl-1-furan-2-yl-ethane-1,2-diamine

Database IDs

• CAS Number: 842971-89-5
• MDL Number: MFCD07643207
• PubChem SID: 160980404
• PubChem CID: 3159593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.905921
• LogD (pH = 7.4): -0.6347031
• Log P: 0.9512884
• Molar Refractivity: 54.1088 cm^3
• Polarizability: 21.293293 Å^3
• Polar Surface Area: 42.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.547

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%