8-Oxa-2,3,5,6-tetra...

8-Oxa-2,3,5,6-tetraaza-4-phosphadecanoicacid, 7-oxo-4-phenyl-, ethyl ester, 4-oxide (9CI) 54529-71-4

8-Oxa-2,3,5,6-tetraaza-4-phosphadecanoicacid, 7-oxo-4-phenyl-, ethyl ester, 4-oxide (9CI) 54529-71-4

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1 Gram

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  • Purity: 99%
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Keywords

8-Oxa-2,3,5,6-tetraaza-4-phosphadecanoicacid, 7-oxo-4-phenyl-, ethyl ester, 4-oxide (9CI) 54529-71-4 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
8-Oxa-2,3,5,6-tetraaza-4-phosphadecanoicacid, 7-oxo-4-phenyl-, ethyl ester, 4-oxide (9CI)
【Iupac name】
ethyl N-[[(2-ethoxycarbonylhydrazinyl)-phenylphosphoryl]amino]carbamate
【CAS Registry number】
54529-71-4
【Synonyms】
NSC 196581
【Molecular Formula】
C12H19 N4 O5 P (Products with the same molecular formula)
【Molecular Weight】
330.2768
【Inchi】
InChI=1/C12H19N4O5P/c1-3-20-11(17)13-15-22(19,10-8-6-5-7-9-10)16-14-12(18)21-4-2/h5-9H,3-4H2,1-2H3,(H,13,17)(H,14,18)(H2,15,16,19)
【Canonical SMILES】
CCOC(=O)NNP(=O)(C1=CC=CC=C1)NNC(=O)OCC
Chemical and Physical Properties
【Density】
1.31g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.545
【Flash Point】
°C
【Computed Properties】
Molecular Weight:330.276821 [g/mol]
Molecular Formula:C12H19N4O5P
XLogP3-AA:1
H-Bond Donor:4
H-Bond Acceptor:7
Rotatable Bond Count:9
Tautomer Count:7
Exact Mass:330.109306
MonoIsotopic Mass:330.109306
Topological Polar Surface Area:118
Heavy Atom Count:22
Formal Charge:0
Complexity:388
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:11
Conformer Sampling RMSD:1
CID Conformer Count:23

 

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