4-(2-hydrazinylbenzenesulfonyl)morpholine

• ChemBase ID: 285237
• Molecular Formular: C10H15N3O3S
• Molecular Mass: 257.3094
• Monoisotopic Mass: 257.08341236
• SMILES: S(=O)(=O)(c1c(NN)cccc1)N1CCOCC1
• Canonical SMILES: NNc1ccccc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H15N3O3S/c11-12-9-3-1-2-4-10(9)17(14,15)13-5-7-16-8-6-13/h1-4,12H,5-8,11H2
• InChIKey: COROPROXNHNWEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydrazinylbenzenesulfonyl)morpholine
• IUPAC Traditional name: 4-(2-hydrazinylbenzenesulfonyl)morpholine
• Synonyms: 4-[(2-hydrazinylbenzene)sulfonyl]morpholine

Database IDs

• MDL Number: MFCD12174183
• PubChem SID: 180670768
• PubChem CID: 43454940

CALCULATED PROPERTIES

• Acid pKa: 15.279246
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.16253196
• LogD (pH = 7.4): 0.19910993
• Log P: 0.19977087
• Molar Refractivity: 66.7905 cm^3
• Polarizability: 25.551807 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 0.946

Product Information

• Purity: 95%