2,3-dimethoxybenzohydrazide

• ChemBase ID: 25816
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(c(c(OC)ccc1)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc(c1OC)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-7-5-3-4-6(8(7)14-2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: BNLLOWWVYZWIGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxybenzohydrazide
• IUPAC Traditional name: 2,3-dimethoxybenzohydrazide
• Synonyms: 2,3-Dimethoxybenzohydrazide

Database IDs

• CAS Number: 321195-74-8
• MDL Number: MFCD03422933
• PubChem SID: 160989123
• PubChem CID: 3730582

CALCULATED PROPERTIES

• Acid pKa: 13.259081
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2113272
• LogD (pH = 7.4): 0.21205802
• Log P: 0.21206789
• Molar Refractivity: 52.5469 cm^3
• Polarizability: 19.662243 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 0.028

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%