5-[(diethylamino)methyl]furan-2-carbohydrazide

• ChemBase ID: 263609
• Molecular Formular: C10H17N3O2
• Molecular Mass: 211.26088
• Monoisotopic Mass: 211.1320768
• SMILES: c1(C(=O)NN)oc(cc1)CN(CC)CC
• Canonical SMILES: CCN(Cc1ccc(o1)C(=O)NN)CC
• InChI: InChI=1S/C10H17N3O2/c1-3-13(4-2)7-8-5-6-9(15-8)10(14)12-11/h5-6H,3-4,7,11H2,1-2H3,(H,12,14)
• InChIKey: NQHJOYUACLKLTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(diethylamino)methyl]furan-2-carbohydrazide
• IUPAC Traditional name: 5-[(diethylamino)methyl]furan-2-carbohydrazide
• Synonyms: 5-[(diethylamino)methyl]furan-2-carbohydrazide

Database IDs

• MDL Number: MFCD06347512
• PubChem SID: 164319519
• PubChem CID: 2090155

CALCULATED PROPERTIES

• Acid pKa: 11.936121
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3877387
• LogD (pH = 7.4): -0.6158706
• Log P: 0.16267087
• Molar Refractivity: 59.9288 cm^3
• Polarizability: 22.206097 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.333

Product Information

• Purity: 95%