4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione

• ChemBase ID: 124698
• Molecular Formular: C10H12N2O6
• Molecular Mass: 256.21208
• Monoisotopic Mass: 256.06953611
• SMILES: O1C(=O)CN(CC1=O)CCN1CC(=O)OC(=O)C1
• Canonical SMILES: O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1
• InChI: InChI=1S/C10H12N2O6/c13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12/h1-6H2
• InChIKey: POLIXZIAIMAECK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione
• IUPAC Traditional name: 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione
• Synonyms: 4,4′-Ethylenebis(2,6-morpholinedione); EDTA dianhydride; Ethylenediaminetetraacetic dianhydride; 4,4'-(ethane-1,2-diyl)bis(morpholine-2,6-dione); 4,4′-亚乙基双(2,6-吗啉二酮); EDTA 二酐; 乙二胺四乙酸二酐

Database IDs

• CAS Number: 23911-25-3
• MDL Number: MFCD00074963
• PubChem SID: 24860018; 162219051
• PubChem CID: 513917

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.6154176
• LogD (pH = 7.4): -1.6109658
• Log P: -1.6109087
• Molar Refractivity: 55.9348 cm^3
• Polarizability: 22.66995 Å^3
• Polar Surface Area: 93.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H12N2O6

DETAILS

InterBioScreen - BB_SC-9444

Complexon

Sigma Aldrich - 332046

Packaging
10, 50 g in glass bottle