3,4,5-trimethoxybenzohydrazide

• ChemBase ID: 52558
• Molecular Formular: C10H14N2O4
• Molecular Mass: 226.22916
• Monoisotopic Mass: 226.09535694
• SMILES: C(=O)(c1cc(c(c(c1)OC)OC)OC)NN
• Canonical SMILES: NNC(=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C10H14N2O4/c1-14-7-4-6(10(13)12-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H,12,13)
• InChIKey: KQXHMNUXNHQSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxybenzohydrazide
• IUPAC Traditional name: 3,4,5-trimethoxybenzohydrazide
• Synonyms: 3,4,5-Trimethoxybenzhydrazide; 3,4,5-Trimethoxybenzohydrazide 98%; 3,4,5-TRIMETHOXYBENZOIC HYDRAZIDE; 3,4,5-Trimethoxybenzhydrazide; 3,4,5-trimethoxybenzohydrazide; 3,4,5-三甲氧基苯酰肼

Database IDs

• CAS Number: 3291-03-0
• EC Number: 221-954-6
• MDL Number: MFCD00014758
• Beilstein Number: 484531
• PubChem SID: 162057321
• PubChem CID: 76793

CALCULATED PROPERTIES

• Acid pKa: 13.800052
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.05352848
• LogD (pH = 7.4): 0.054385528
• Log P: 0.054396622
• Molar Refractivity: 59.0101 cm^3
• Polarizability: 22.210083 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-159°C; 158-160°C

Safety Information

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

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05219444

MP Biomedicals Rare Chemical collection