4-(morpholin-4-yl)benzohydrazide

• ChemBase ID: 42919
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: N1(c2ccc(C(=O)NN)cc2)CCOCC1
• Canonical SMILES: NNC(=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C11H15N3O2/c12-13-11(15)9-1-3-10(4-2-9)14-5-7-16-8-6-14/h1-4H,5-8,12H2,(H,13,15)
• InChIKey: DKYRBPURDTXBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)benzohydrazide
• IUPAC Traditional name: 4-(morpholin-4-yl)benzohydrazide
• Synonyms: 4-Morpholinobenzenecarbohydrazide

Database IDs

• MDL Number: MFCD12025839
• PubChem SID: 162047682
• PubChem CID: 40147994

CALCULATED PROPERTIES

• Acid pKa: 15.140184
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4159023
• LogD (pH = 7.4): 0.41694057
• Log P: 0.41695383
• Molar Refractivity: 63.1236 cm^3
• Polarizability: 23.069149 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 198 °C; 197-198°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%