N',N'-dicyclohexylideneethanedihydrazide

• ChemBase ID: 103437
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: O=C(NN=C1CCCCC1)C(=O)NN=C1CCCCC1
• Canonical SMILES: O=C(C(=O)NN=C1CCCCC1)NN=C1CCCCC1
• InChI: InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)
• InChIKey: DSRJIHMZAQEUJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N',N'-dicyclohexylideneethanedihydrazide
• IUPAC Traditional name: N',N'-dicyclohexylideneethanedihydrazide
• Synonyms: Oxalic acid bis(cyclohexylidenehydrazide); Chromium(III) Ionophore III; Cuprizon; Bis(cyclohexanone)oxaldihydrazone; Cuprizon I; Bis(cyclohexanone) oxaldihydrazone; Cuprizon 1; Bis(cyclohexanone)oxaldihydrazone; Cuprizone; OXALIC ACID bis-(CYCLOHEXYLIDINE-HYDRAZIDE); OXALIC ACID bis-(CYCLOHEXYLIDINE-HYDRAZIDE); BISCYCLOHEXANONE OXALDIHYDRAZONE; 双环己酮草酰二腙; 铬 (III) 离子载体 III; 新铜试剂; 草酰双(环己基亚肼); 双环己酮草酰二腙; 双(环己酮) 草酰二腙

Database IDs

• CAS Number: 370-81-0
• EC Number: 206-729-2
• MDL Number: MFCD00001659
• Beilstein Number: 2388004
• PubChem SID: 24848801; 162103127; 24893128
• PubChem CID: 9723

CALCULATED PROPERTIES

• Acid pKa: 10.638203
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0056314
• LogD (pH = 7.4): 2.005529
• Log P: 2.0057526
• Molar Refractivity: 75.492 cm^3
• Polarizability: 28.962612 Å^3
• Polar Surface Area: 82.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208-212°C; 210-214 °C; 210-214 °C(lit.); 214-216°C

Safety Information

• RTECS: RO2520000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0%; ≥99.0% (N); 98%
• Grade: Selectophore™
• Quality: for spectrophotometric det. of Cu; function tested
• Empirical Formula (Hill Notation): C14H22N4O2

DETAILS

MP Biomedicals - 02151791

Reagent for determination of copper.
Also used to study mitochondrial metabolism.

MP Biomedicals - 05215284

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 14690

Other Notes
For the spectrophotometric determination of Cu(II)1
In the presence of a copper salt, this ligand catalyzes Ullmann-type C-N bond forming reactions under mild, aqueous conditions.

Sigma Aldrich - 41433

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• Nara, S. and Yasunobu, K.T., Biochemistry of Copper, 423, Academic Press, New York, (1966).
• Reagent for spectrophotometric determination of Cu(II): Anal. Chem., 38, 911 (1966).