Diethyl phthalimidomalonate - CAS 5680-61-5
Catalog: |
BB029493 |
Product Name: |
Diethyl phthalimidomalonate |
CAS: |
5680-61-5 |
Synonyms: |
diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate |
IUPAC Name: | diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate |
Description: | Diethyl phthalimidomalonate (CAS# 5680-61-5) is a useful research chemical compound. |
Molecular Weight: | 305.28 |
Molecular Formula: | C15H15NO6 |
Canonical SMILES: | CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3 |
InChI Key: | SZNGBHWKVWEBKW-UHFFFAOYSA-N |
Boiling Point: | 682.9 ℃ at 760 mmHg |
Purity: | > 96.0 % (T) |
Density: | 1.48 g/cm3 |
MDL: | MFCD00065025 |
LogP: | 0.71530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020031897-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
US-2021130580-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
EP-3835329-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
JP-WO2020031897-A1 | Kits for preparing polymerization initiators, curable compositions, dental materials and curable compositions | 20180809 |
JP-2017197654-A | Abrasive, abrasive set, and substrate polishing method | 20160427 |
Complexity: | 446 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.08993720 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.08993720 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 90 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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