Diethyl carbamoylmethylphosphonate - CAS 5464-68-6
Catalog: |
BB028747 |
Product Name: |
Diethyl carbamoylmethylphosphonate |
CAS: |
5464-68-6 |
Synonyms: |
2-diethoxyphosphorylacetamide |
IUPAC Name: | 2-diethoxyphosphorylacetamide |
Description: | Diethyl carbamoylmethylphosphonate (CAS# 5464-68-6) is a useful research chemical. |
Molecular Weight: | 195.15 |
Molecular Formula: | C6H14NO4P |
Canonical SMILES: | CCOP(=O)(CC(=O)N)OCC |
InChI: | InChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H2,7,8) |
InChI Key: | QPVCUQOSWAXEOQ-UHFFFAOYSA-N |
Boiling Point: | 338.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD00014805 |
LogP: | 1.43810 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020377510-A1 | Derivatives of piperlongumine and uses thereof | 20190530 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
EP-3833348-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.06604493 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.06604493 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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