2-[(2,4,6-trimethylphenyl)amino]acetohydrazide

• ChemBase ID: 235093
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(NCC(=O)NN)c(cc(cc1C)C)C
• Canonical SMILES: NNC(=O)CNc1c(C)cc(cc1C)C
• InChI: InChI=1S/C11H17N3O/c1-7-4-8(2)11(9(3)5-7)13-6-10(15)14-12/h4-5,13H,6,12H2,1-3H3,(H,14,15)
• InChIKey: VPPSGTKPGQFWNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,4,6-trimethylphenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2,4,6-trimethylphenyl)amino]acetohydrazide
• Synonyms: 2-(mesitylamino)acetohydrazide

Database IDs

• MDL Number: MFCD06337050
• PubChem SID: 164291003
• PubChem CID: 2120346

CALCULATED PROPERTIES

• Acid pKa: 13.223829
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3595177
• LogD (pH = 7.4): 1.3608357
• Log P: 1.3608531
• Molar Refractivity: 63.7663 cm^3
• Polarizability: 23.077133 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.421

Product Information

• Purity: 95%