N-(3,4-dimethylphenyl)-1-(hydrazinecarbonyl)formamide

• ChemBase ID: 243575
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: C(=O)(C(=O)Nc1cc(c(cc1)C)C)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H13N3O2/c1-6-3-4-8(5-7(6)2)12-9(14)10(15)13-11/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15)
• InChIKey: HGWMIWOCRAUEMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-1-(hydrazinecarbonyl)formamide
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-1-(hydrazinecarbonyl)formamide
• Synonyms: N-(3,4-dimethylphenyl)-2-hydrazino-2-oxoacetamide

Database IDs

• MDL Number: MFCD06378272
• PubChem SID: 164299485
• PubChem CID: 2526158

CALCULATED PROPERTIES

• Acid pKa: 10.124172
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.0937252
• LogD (pH = 7.4): 1.0932435
• Log P: 1.0939748
• Molar Refractivity: 59.1046 cm^3
• Polarizability: 21.388803 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): -0.509

Product Information

• Purity: 95%