4(5H)-Oxazolone,2-(ethylamino)-5-phenyl- supplier

Name
fenozolone
EINECS 239-339-6
CAS No. 15302-16-6
Density 1.23 g/cm³
Solubility
Melting Point 148°
Formula C₁₁H₁₂N₂O₂
Boiling Point 306.8 °C at 760 mmHg
Molecular Weight 204.228
Flash Point 139.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolin-4-one,2-(ethylamino)-5-phenyl- (7CI,8CI);4-Oxazolidinone, 2-(ethylimino)-5-phenyl-(6CI);2-(Ethylamino)-4-oxo-5-phenyl-2-oxazoline;2-(Ethylamino)-4-oxo-5-phenyl-D2-oxazoline;2-(Ethylamino)-5-phenyl-2-oxazolin-4-one;5-Phenyl-2-(ethylimino)-4-oxazolidone;5-Phenyl-2-ethylamino-4-oxazolinone;Fenozolone;LD 3394;Ordinator;Phenozolone;
PSA 54.18000
LogP 1.52590

4(5H)-Oxazolone,2-(ethylamino)-5-phenyl- Specification

The 4(5H)-Oxazolone,2-(ethylamino)-5-phenyl-, with the CAS registry number 15302-16-6, is also known as 2-(Ethylamino)-5-phenyl-1,3-oxazol-4(5H)-one. Its EINECS registry number is 239-339-6. This chemical's molecular formula is C₁₁H₁₂N₂O₂ and molecular weight is 204.2252. What's more, its IUPAC name is called 2-(Ethylamino)-5-phenyl-1,3-oxazol-4-one. It is a psychoactive drug and stimulant related to pemoline and 4-methylaminorex which acts as a norepinephrine-dopamine releasing agent (NDRA). This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about 4(5H)-Oxazolone,2-(ethylamino)-5-phenyl- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 6.68; (7)ACD/KOC (pH 5.5): 135.55; (8)ACD/KOC (pH 7.4): 135.58; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 56.3 cm³; (15)Molar Volume: 164.9 cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 139.3 °C; (19)Enthalpy of Vaporization: 54.73 kJ/mol; (20)Boiling Point: 306.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000756 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=C(/OC1c2ccccc2)NCC
(2) InChI: InChI=1/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)
(3) InChIKey: RXOIEVSUURELPG-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	175mg/kg (175mg/kg)	"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 626, 1989.
mouse	LD50	oral	425mg/kg (425mg/kg)	"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 626, 1989.
mouse	LD50	subcutaneous	340mg/kg (340mg/kg)	British Patent Document. Vol. #1005738,

Product Name

fenozolone

4(5H)-Oxazolone,2-(ethylamino)-5-phenyl- Specification

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