N'-methyl(tert-butoxy)carbohydrazide

• ChemBase ID: 294573
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: CNNC(=O)OC(C)(C)C
• Canonical SMILES: CNNC(=O)OC(C)(C)C
• InChI: InChI=1S/C6H14N2O2/c1-6(2,3)10-5(9)8-7-4/h7H,1-4H3,(H,8,9)
• InChIKey: UZRUVUYVHGPEAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-methyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-methyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 2-methylhydrazinecarboxylate

Database IDs

• CAS Number: 127799-54-6
• MDL Number: MFCD16660139
• PubChem SID: 180680104
• PubChem CID: 15671306

CALCULATED PROPERTIES

• Acid pKa: 13.006591
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.56478584
• LogD (pH = 7.4): 0.57009375
• Log P: 0.57016283
• Molar Refractivity: 48.7067 cm^3
• Polarizability: 15.138 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%