2-methoxybenzohydrazide

• ChemBase ID: 52473
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(c1c(cccc1)OC)NN
• Canonical SMILES: NNC(=O)c1ccccc1OC
• InChI: InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: QMGXWNSSMGAHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxybenzohydrazide
• IUPAC Traditional name: benzoylhydrazine, O-methoxy
• Synonyms: 2-Methoxybenzhydrazide; 2-Methoxybenzohydrazide; 2-Methoxybenzoic acid hydrazide; o-Anisic hydrazide; 2-Methoxybenzhydrazide; 2-methoxybenzohydrazide; 2-甲氧基苯酰肼

Database IDs

• CAS Number: 7466-54-8
• EC Number: 231-260-5
• MDL Number: MFCD00014755
• Beilstein Number: 2208367
• PubChem SID: 162057236
• PubChem CID: 24051

CALCULATED PROPERTIES

• Acid pKa: 13.591234
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.36896697
• LogD (pH = 7.4): 0.36972916
• Log P: 0.36973915
• Molar Refractivity: 46.0837 cm^3
• Polarizability: 17.118155 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-79°C; 78-82°C; 79 - 81°C
• Hydrophobicity(logP): 0.362

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: BZ4700000
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 98%; 98+%