N'-phenyl-N'-(propan-2-yl)acetohydrazide

• ChemBase ID: 88418
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N(N(c1ccccc1)C(C)C)C(=O)C
• Canonical SMILES: CC(N(c1ccccc1)NC(=O)C)C
• InChI: InChI=1S/C11H16N2O/c1-9(2)13(12-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,12,14)
• InChIKey: OFQYWXJFFAVUNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenyl-N'-(propan-2-yl)acetohydrazide
• IUPAC Traditional name: N'-isopropyl-N'-phenylacetohydrazide
• Synonyms: N'-Phenyl-N'-(prop-2-yl)acetohydrazide; N'-Isopropyl-N'-phenylacetohydrazide

Database IDs

• CAS Number: 885669-11-4
• PubChem SID: 162075376
• PubChem CID: 44119437

CALCULATED PROPERTIES

• Acid pKa: 13.870753
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8921279
• LogD (pH = 7.4): 1.8922126
• Log P: 1.892214
• Molar Refractivity: 67.1192 cm^3
• Polarizability: 21.87896 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant