N'-benzyl-2,2-dimethylpropanehydrazide

• ChemBase ID: 129014
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: CC(C)(C)C(=O)NNCc1ccccc1
• Canonical SMILES: O=C(C(C)(C)C)NNCc1ccccc1
• InChI: InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
• InChIKey: FWWDFDMCZLOXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-benzyl-2,2-dimethylpropanehydrazide
• IUPAC Traditional name: pivalylbenzhydrazine
• Synonyms: Angorvid; Betamezid; Neomarsilid; Pivazidd; Pivhydrazine; Pivalylbenzhydrazine

Database IDs

• CAS Number: 306-19-4
• PubChem SID: 162223316
• PubChem CID: 9375
• Chemspider ID: 9007
• Wikipedia Title: Pivalylbenzhydrazine

CALCULATED PROPERTIES

• Acid pKa: 12.913331
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4141693
• LogD (pH = 7.4): 2.4208345
• Log P: 2.4209216
• Molar Refractivity: 71.5925 cm^3
• Polarizability: 24.015251 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only