11-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)undecanehydrazide

• ChemBase ID: 172499
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C15H25N3O3/c16-17-13(19)9-7-5-3-1-2-4-6-8-12-18-14(20)10-11-15(18)21/h10-11H,1-9,12,16H2,(H,17,19)
• InChIKey: WVGQCJDEFYSDJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)undecanehydrazide
• IUPAC Traditional name: 11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
• Synonyms: 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-undecanoic Acid Hydrazide; 11-Maleimidoundecanoic Acid Hydrazide

Database IDs

• CAS Number: 359436-62-7
• PubChem SID: 164228409
• PubChem CID: 4438236

CALCULATED PROPERTIES

• Acid pKa: 13.358329
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5974393
• LogD (pH = 7.4): 1.5999601
• Log P: 1.5999928
• Molar Refractivity: 82.3004 cm^3
• Polarizability: 31.32546 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 105-107°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M151400

A sulfhydryl and carbonyl reactive heterobifunctional crosslinking reagent.Spacer Arm: 19.0 Angstroms