Phosphoramidicacid, [(4-morpholinylamino)thioxomethyl]-, diethyl ester (9CI) 54529-72-5 CAS NO.54529-72-5

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Product Details

Keywords

Phosphoramidicacid, [(4-morpholinylamino)thioxomethyl]-, diethyl ester (9CI)
54529-72-5
98%

Quick Details

ProName: Phosphoramidicacid, [(4-morpholinylami...
CasNo: 54529-72-5
Molecular Formula: C9H20 N3 O4 P S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Grade: Industrial Grade

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Details

【Name】
Phosphoramidicacid, [(4-morpholinylamino)thioxomethyl]-, diethyl ester (9CI)
【Iupac name】
1-diethoxyphosphoryl-3-morpholin-4-ylthiourea
【CAS Registry number】
54529-72-5
【Synonyms】
NSC196583
【Molecular Formula】
C9H20 N3 O4 P S (Products with the same molecular formula)
【Molecular Weight】
297.3116
【Inchi】
InChI=1/C9H20N3O4PS/c1-3-15-17(13,16-4-2)11-9(18)10-12-5-7-14-8-6-12/h3-8H2,1-2H3,(H2,10,11,13,18)
【Canonical SMILES】
CCOP(=O)(NC(=S)NN1CCOCC1)OCC
Chemical and Physical Properties
【Density】
1.28g/cm3
【Boiling Point】
372.2°C at 760 mmHg
【Refractive Index】
1.535
【Flash Point】
178.9°C
【Computed Properties】
Molecular Weight:297.311561 [g/mol]
Molecular Formula:C9H20N3O4PS
XLogP3-AA:0.6
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:6
Tautomer Count:5
Exact Mass:297.091213
MonoIsotopic Mass:297.091213
Topological Polar Surface Area:104
Heavy Atom Count:18
Formal Charge:0
Complexity:302
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:9.2
Conformer Sampling RMSD:0.8
CID Conformer Count:259

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