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21988-58-9

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Basic Information
CAS No.: 21988-58-9
Name: N-diethoxyphosphoryl-2-(methoxy-morpholin-4-yl-phosphoryl)sulfanyl-eth anamine
Molecular Structure:
Molecular Structure of 21988-58-9 (N-diethoxyphosphoryl-2-(methoxy-morpholin-4-yl-phosphoryl)sulfanyl-eth anamine)
Formula: C11H26 N2 O6 P2 S
Molecular Weight: 376.39
Synonyms: Phosphoramidicacid, (2-mercaptoethyl)-, diethyl ester, S-ester with O-methylmorpholinophosphonothioate (8CI); Phosphonothioic acid, morpholino-, O-methylester, S-ester with diethyl (2-mercaptoethyl)phosphoramidate (8CI)
Density: 1.27g/cm3
Boiling Point: 456.6°Cat760mmHg
Flash Point: 230°C
Safety: A poison by intraperitoneal route.When heated to decomposition it emits toxic vapors of NOx, POx, and SOx.
PSA: 131.25000
LogP: 2.90580
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  • Phosphoramidic acid,[2-[(methoxy-4-morpholinylphosphinyl)thio]ethyl]-, diethyl ester (9CI)

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    21988-58-9

    Phosphoramidic acid,[2-[(methoxy-4-morpholinylphosphinyl)thio]ethyl]-, diethyl ester (9CI)

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Chemistry

IUPAC Name: N-Diethoxyphosphoryl-2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethanamine
Synonyms of  O-Methyl S-(O',O'-diethylphosphoramido)ethyl phosphoromorpholinothioate (CAS NO.21988-58-9): Phosphoromorpholinothioic acid, O-methyl S-(O',O'-diethylphosphoramido)ethyl ester
CAS NO: 21988-58-9
Molecular Formula: C11H26N2O6P2S
Molecular Weight: 376.3465
Molecular Structure :
H bond acceptors: 8
H bond donors: 1
Freely Rotating Bonds: 10
Polar Surface Area: 122.46 Å2
Index of Refraction: 1.498
Molar Refractivity: 86.92 cm3
Molar Volume: 296.1 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.27 g/cm3
Flash Point: 230 °C
Enthalpy of Vaporization: 71.66 kJ/mol
Boiling Point: 456.6 °C at 760 mmHg
Vapour Pressure: 1.59E-08 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 268, Pg. 2150, 1969.

Safety Profile

A poison by intraperitoneal route.When O-Methyl S-(O',O'-diethylphosphoramido)ethyl phosphoromorpholinothioate (CAS NO.21988-58-9) is heated to decomposition, it emits toxic vapors of NOx, POx, and SOx.