2-(3-methylphenoxy)propanehydrazide

• ChemBase ID: 27196
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(C(Oc1cc(ccc1)C)C)NN
• Canonical SMILES: NNC(=O)C(Oc1cccc(c1)C)C
• InChI: InChI=1S/C10H14N2O2/c1-7-4-3-5-9(6-7)14-8(2)10(13)12-11/h3-6,8H,11H2,1-2H3,(H,12,13)
• InChIKey: RUOZUZXHZLLHPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(3-methylphenoxy)propanehydrazide
• Synonyms: 2-(3-Methylphenoxy)propanohydrazide

Database IDs

• CAS Number: 90330-07-7
• MDL Number: MFCD01695446
• PubChem SID: 160990503
• PubChem CID: 3021693

CALCULATED PROPERTIES

• Acid pKa: 12.407451
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2709275
• LogD (pH = 7.4): 1.2723037
• Log P: 1.2723252
• Molar Refractivity: 54.4472 cm^3
• Polarizability: 20.930141 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false