4-(diethylamino)benzohydrazide

• ChemBase ID: 8551
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: C(=O)(c1ccc(N(CC)CC)cc1)NN
• Canonical SMILES: CCN(c1ccc(cc1)C(=O)NN)CC
• InChI: InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
• InChIKey: PUNSOBLTEWFAMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diethylamino)benzohydrazide
• IUPAC Traditional name: 4-(diethylamino)benzohydrazide
• Synonyms: 4-(Diethylamino)benzhydrazide

Database IDs

• CAS Number: 100139-54-6
• MDL Number: MFCD01310809
• PubChem SID: 160971858
• PubChem CID: 2063864

CALCULATED PROPERTIES

• Acid pKa: 15.151245
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3252944
• LogD (pH = 7.4): 1.3487631
• Log P: 1.3490702
• Molar Refractivity: 63.5463 cm^3
• Polarizability: 23.087317 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-101°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false