2-amino-N'-phenylbenzohydrazide

• ChemBase ID: 54612
• Molecular Formular: C13H13N3O
• Molecular Mass: 227.26182
• Monoisotopic Mass: 227.10586205
• SMILES: c1(C(=O)NNc2ccccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NNc1ccccc1
• InChI: InChI=1S/C13H13N3O/c14-12-9-5-4-8-11(12)13(17)16-15-10-6-2-1-3-7-10/h1-9,15H,14H2,(H,16,17)
• InChIKey: UJZGZKOKUAKGEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N'-phenylbenzohydrazide
• IUPAC Traditional name: 2-amino-N'-phenylbenzohydrazide
• Synonyms: 2-Amino-N'-phenylbenzohydrazide

Database IDs

• CAS Number: 30086-49-8
• MDL Number: MFCD00723068
• PubChem SID: 162059375
• PubChem CID: 12199185

CALCULATED PROPERTIES

• Acid pKa: 14.510677
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.7464426
• LogD (pH = 7.4): 2.7471542
• Log P: 2.7471633
• Molar Refractivity: 69.5174 cm^3
• Polarizability: 25.029753 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174 °C; 172-174°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%