N'-(propan-2-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 291913
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: CC(C)NNC(=O)OC(C)(C)C
• Canonical SMILES: CC(NNC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11)
• InChIKey: PUAKAEDMCXRDPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(propan-2-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-isopropyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 2-isopropylhydrazinecarboxylate

Database IDs

• CAS Number: 16689-35-3
• MDL Number: MFCD14635748
• PubChem SID: 180677444
• PubChem CID: 11217534

CALCULATED PROPERTIES

• Acid pKa: 13.064107
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3345065
• LogD (pH = 7.4): 1.3434299
• Log P: 1.3435458
• Molar Refractivity: 57.8741 cm^3
• Polarizability: 18.804482 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%