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Phosphoramidic acid, phenyl-, diethyl ester

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Name

Phosphoramidic acid, phenyl-, diethyl ester

EINECS N/A
CAS No. 1445-38-1 Density 1.173 g/cm3
PSA 57.37000 LogP 3.35260
Solubility N/A Melting Point 91-94°C
Formula C10H16NO3 Boiling Point 290.6°C at 760 mmHg
Molecular Weight 229.216 Flash Point 129.5°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1445-38-1 (DIETHYL ANILINOPHOSPHONATE) Hazard Symbols IrritantXi
Synonyms

Phosphoramidicacid, phenyl-, diethyl ester (6CI,7CI,8CI,9CI);DiethylN-phenylphosphoramidate;Diethyl phenylphosphoramidate;Diethylphosphoranilidate;NSC 16105;

Article Data 37

Phosphoramidic acid, phenyl-, diethyl ester Specification

This chemical is called Phosphoramidic acid, phenyl-, diethyl ester, and its systematic name is diethyl phenylphosphoramidate. With the molecular formula of C10H16NO3P, its molecular weight is 229.21. The CAS registry number of this chemical is 1445-38-1. Additionally, its classification code is Drug / Therapeutic Agent.

Other characteristics of the Phosphoramidic acid, phenyl-, diethyl ester can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.24; (6)ACD/BCF (pH 7.4): 13.24; (7)ACD/KOC (pH 5.5): 221.14; (8)ACD/KOC (pH 7.4): 221.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 48.58 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 60.12 cm3; (15)Molar Volume: 195.2 cm3; (16)Polarizability: 23.83×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 129.5 °C; (20)Enthalpy of Vaporization: 52.99 kJ/mol; (21)Boiling Point: 290.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00205 mmHg at 25°C.

Production method of this chemical: The Phosphoramidic acid, phenyl-, diethyl ester could be obtained by the reactants of aniline and phosphonic acid diethyl ester. This reaction needs the reagent of CCl4.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCC)(OCC)Nc1ccccc1
2.InChI: InChI=1/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)
3.InChIKey: GESBKELMKMNZLZ-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 666mg/kg (666mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: OTHER CHANGES
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 495, 1953.

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