Name: ar-ethoxybenzamide
SKU: 27043-22-7

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Basic Information

Molecular Structure:
CAS No.:	27043-22-7
Name:	ar-ethoxybenzamide

Formula:	C₉H₁₁NO₂
Molecular Weight:	165.191
Synonyms:	Ethoxybenzamide;
EINECS:	248-183-8
Density:	1.111g/cm³
Melting Point:	129-134℃
Boiling Point:	302 °C at 760 mmHg
Flash Point:	153.7 °C
Solubility:	<0.1 g/100 mL at 16℃
PSA:	52.32000
LogP:	1.88450

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- China (Mainland)(22)
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Specification

The Ethoxybenzamide, with cas registry number 27043-22-7, has the systematic name of 2-ethoxybenzamide. Besides this, it is also called benzamide, 2-ethoxy-. And its EINECS is 248-183-8. What's more, its system generated number is 0027043227.

Physical properties about this chemical are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.83; (8)ACD/KOC (pH 7.4): 137.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 46.49 cm³; (15)Molar Volume: 148.6 cm³; (16)Polarizability: 18.43×10^-24cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Enthalpy of Vaporization: 54.21 kJ/mol; (19)Vapour Pressure: 0.00102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1OCC)N
(2)InChI: InChI=1/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(3)InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(5)Std. InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1330mg/kg (1330mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 549, 1978