2-(propan-2-yloxy)butanehydrazide

• ChemBase ID: 307817
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: C(=O)(C(OC(C)C)CC)NN
• Canonical SMILES: CCC(C(=O)NN)OC(C)C
• InChI: InChI=1S/C7H16N2O2/c1-4-6(7(10)9-8)11-5(2)3/h5-6H,4,8H2,1-3H3,(H,9,10)
• InChIKey: ZYFMBSLEECOFNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)butanehydrazide
• IUPAC Traditional name: 2-isopropoxybutanehydrazide
• Synonyms: 2-isopropoxybutanohydrazide

Database IDs

• CAS Number: 1049749-98-5
• MDL Number: MFCD08752997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.36156896
• LogD (pH = 7.4): 0.3637545
• Log P: 0.36378404
• Molar Refractivity: 43.5887 cm^3
• Polarizability: 16.969986 Å^3
• Polar Surface Area: 64.35 Å^2