Phosphoramidic acid, phenyl-, diethyl ester supplier

Name
DIETHYL ANILINOPHOSPHONATE
EINECS
CAS No. 1445-38-1
Article Data37
CAS DataBase
Density 1.173 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Phosphoramidicacid, phenyl-, diethyl ester (6CI,7CI,8CI,9CI);DiethylN-phenylphosphoramidate;Diethyl phenylphosphoramidate;Diethylphosphoranilidate;NSC 16105;
PSA 57.37000
LogP 3.35260

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.

Product Name

DIETHYL ANILINOPHOSPHONATE

Phosphoramidic acid, phenyl-, diethyl ester Specification

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