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

• ChemBase ID: 17480
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(C(N(C)C)CN)ccco1
• Canonical SMILES: NCC(c1ccco1)N(C)C
• InChI: InChI=1S/C8H14N2O/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
• InChIKey: AZJFCUDCKGDHOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(furan-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(furan-2-yl)ethyl]dimethylamine
• Synonyms: 1-Furan-2-yl-N*1*,N*1*-dimethyl-ethane-1,2-diamine; 1-(furan-2-yl)-N1,N1-dimethylethane-1,2-diamine; 1-(2-furyl)-N~1~,N~1~-dimethylethane-1,2-diamine; 1-(2-furyl)-N~1~,N~1~-dimethyl-1,2-ethanediamine; N-[2-amino-1-(2-furyl)ethyl]-N,N-dimethylamine

Database IDs

• CAS Number: 851169-48-7
• MDL Number: MFCD06655012
• PubChem SID: 160980787
• PubChem CID: 3754087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1962264
• LogD (pH = 7.4): -1.1499069
• Log P: 0.2376725
• Molar Refractivity: 44.6116 cm^3
• Polarizability: 17.606127 Å^3
• Polar Surface Area: 42.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.475
• Hydrophobicity(logP): 0.489

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%