4-(benzylamino)benzohydrazide

• ChemBase ID: 33303
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: C(=O)(c1ccc(NCc2ccccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)NCc1ccccc1
• InChI: InChI=1S/C14H15N3O/c15-17-14(18)12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9,16H,10,15H2,(H,17,18)
• InChIKey: UXWMYMBEWDSDQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzylamino)benzohydrazide
• IUPAC Traditional name: 4-(benzylamino)benzohydrazide
• Synonyms: 4-(Benzylamino)benzohydrazide

Database IDs

• MDL Number: MFCD00994605
• PubChem SID: 160996610
• PubChem CID: 4990473

CALCULATED PROPERTIES

• Acid pKa: 15.171686
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.7228054
• LogD (pH = 7.4): 1.7246382
• Log P: 1.7246617
• Molar Refractivity: 74.4269 cm^3
• Polarizability: 27.16013 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false