CAS No.41653-21-8,Ethyl piperidinoacetylaminobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41653-21-8
Name:	Ethyl piperidinoacetylaminobenzoate
Article Data:	4

Formula:	C₁₆H₂₂N₂O₃
Molecular Weight:	290.362
Synonyms:	Benzoicacid, 4-[(1-piperidinylacetyl)amino]-, ethyl ester (9CI);Benzoic acid,p-(2-piperidinoacetamido)-, ethyl ester (7CI);Ethyl4-(1-piperidinylacetylamino)benzoate;Ethyl p-(2-piperidinoacetamido)benzoate;SA 7;Sulcaine;
Density:	1.159 g/cm³
Boiling Point:	472.9 °C at 760 mmHg
Flash Point:	239.8 °C
PSA:	58.64000
LogP:	2.29860

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Specification

The cas register number of Ethyl piperidinoacetylaminobenzoate is 41653-21-8. It also can be called as Benzoic acid, p-(2-piperidinoacetamido)-, ethyl ester and the IUPAC Name about this chemical is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate. Classification Code about this chemical is Drug / Therapeutic Agent.

Physical properties about Ethyl piperidinoacetylaminobenzoate are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 3.6; (4)ACD/BCF (pH 5.5): 9.95; (5)ACD/BCF (pH 7.4): 286.88; (6)ACD/KOC (pH 5.5): 60.82; (7)ACD/KOC (pH 7.4): 1754.54; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 49.85Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 81.56 cm³; (14)Molar Volume: 250.4 cm³; (15)Polarizability: 32.33x10^-24cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Enthalpy of Vaporization: 73.6 kJ/mol; (18)Boiling Point: 472.9 °C at 760 mmHg; (19)Vapour Pressure: 4.1E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(C(=O)OCC)cc1)CN2CCCCC2
(2)InChI: InChI=1/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
(3)InChIKey: QLGIFPJNYPWBMQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
(5)Std. InChIKey: QLGIFPJNYPWBMQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	960mg/kg (960mg/kg)		Pharmaceutica Acta Helvetiae. Vol. 38, Pg. 470, 1963.
mouse	LD50	oral	> 15gm/kg (15000mg/kg)		Drugs in Japan Vol. 6, Pg. 636, 1982.