3-(phenylamino)propanehydrazide

• ChemBase ID: 307768
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: C(=O)(CCNc1ccccc1)NN
• Canonical SMILES: NNC(=O)CCNc1ccccc1
• InChI: InChI=1S/C9H13N3O/c10-12-9(13)6-7-11-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H,12,13)
• InChIKey: QOZMRVJLWMWVJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(phenylamino)propanehydrazide
• IUPAC Traditional name: 3-(phenylamino)propanehydrazide
• Synonyms: 3-anilinopropanohydrazide

Database IDs

• CAS Number: 4916-20-5
• MDL Number: MFCD00559632

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.02287204
• LogD (pH = 7.4): 0.056493696
• Log P: 0.057601683
• Molar Refractivity: 53.3421 cm^3
• Polarizability: 19.627495 Å^3
• Polar Surface Area: 67.15 Å^2