2-[4-(propan-2-yl)phenoxy]acetohydrazide

• ChemBase ID: 21596
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(NN)COc1ccc(cc1)C(C)C
• Canonical SMILES: NNC(=O)COc1ccc(cc1)C(C)C
• InChI: InChI=1S/C11H16N2O2/c1-8(2)9-3-5-10(6-4-9)15-7-11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
• InChIKey: SGEKDXDLMYFJOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)phenoxy]acetohydrazide
• IUPAC Traditional name: 2-(4-isopropylphenoxy)acetohydrazide
• Synonyms: 2-(4-Isopropylphenoxy)acetohydrazide

Database IDs

• CAS Number: 443905-53-1
• MDL Number: MFCD00553733
• PubChem SID: 160984903
• PubChem CID: 968935

CALCULATED PROPERTIES

• Acid pKa: 12.495566
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4337307
• LogD (pH = 7.4): 1.4351276
• Log P: 1.4351487
• Molar Refractivity: 59.1029 cm^3
• Polarizability: 22.767506 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false