2-(morpholin-4-yl)butanedihydrazide

• ChemBase ID: 282706
• Molecular Formular: C8H17N5O3
• Molecular Mass: 231.25228
• Monoisotopic Mass: 231.13313943
• SMILES: C(C(=O)NN)(CC(=O)NN)N1CCOCC1
• Canonical SMILES: NNC(=O)C(N1CCOCC1)CC(=O)NN
• InChI: InChI=1S/C8H17N5O3/c9-11-7(14)5-6(8(15)12-10)13-1-3-16-4-2-13/h6H,1-5,9-10H2,(H,11,14)(H,12,15)
• InChIKey: XOJPLEOQUZBSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)butanedihydrazide
• IUPAC Traditional name: 2-(morpholin-4-yl)butanedihydrazide
• Synonyms: 2-(morpholin-4-yl)butanedihydrazide

Database IDs

• MDL Number: MFCD20441648
• PubChem SID: 180668237
• PubChem CID: 12615275

CALCULATED PROPERTIES

• Acid pKa: 12.300918
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -3.3495002
• LogD (pH = 7.4): -2.8426647
• Log P: -2.830232
• Molar Refractivity: 58.2891 cm^3
• Polarizability: 22.33804 Å^3
• Polar Surface Area: 122.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.523

Product Information

• Purity: 95%