Carbanilic acid, o-(pentyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate supplier

Name
oxalic acid, [1-(1-piperidyl)-3-propoxy-propan-2-yl] N-(2-pentoxypheny l)carbamate
EINECS
CAS No. 143503-36-0
Density
Solubility
Melting Point
Formula C₂₅H₄₀N₂O₈
Boiling Point 496.8 °C at 760 mmHg
Molecular Weight 496.5937
Flash Point 254.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxalic acid; [1-(1-piperidyl)-3-propoxy-propan-2-yl] N-(2-pentoxyphenyl)carbamate;Carbamic acid, (2-(pentyloxy)phenyl)-, 1-(1-piperidinylmethyl)-2-propoxyethyl ester, ethanedioate (1:1);
PSA 138.12000
LogP 4.19230

Carbanilic acid, o-(pentyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate Specification

The Carbanilic acid, o-(pentyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate, with the CAS registry number 143503-36-0, is also known as 2-Piperidin-1-yl-1-(propoxymethyl)ethyl [2-(pentyloxy)phenyl]carbamate ethanedioate. This chemical's molecular formula is C₂₅H₄₀N₂O₈ and molecular weight is 496.5937. What's more, its IUPAC name is Oxalic acid; (1-piperidin-1-yl-3-propoxypropan-2-yl) N-(2-pentoxyphenyl)carbamate. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Carbanilic acid, o-(pentyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate are: (1)ACD/LogP: 6.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 108.42; (6)ACD/BCF (pH 7.4): 5136.94; (7)ACD/KOC (pH 5.5): 178.88; (8)ACD/KOC (pH 7.4): 8475.65; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 51.24 Å²; (13)Flash Point: 254.2 °C; (14)Enthalpy of Vaporization: 76.46 kJ/mol; (15)Boiling Point: 496.8 °C at 760 mmHg; (16)Vapour Pressure: 5.25E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(=O)O.O=C(OC(CN1CCCCC1)COCCC)Nc2ccccc2OCCCCC
(2) InChI: InChI=1/C23H38N2O4.C2H2O4/c1-3-5-11-17-28-22-13-8-7-12-21(22)24-23(26)29-20(19-27-16-4-2)18-25-14-9-6-10-15-25;3-1(4)2(5)6/h7-8,12-13,20H,3-6,9-11,14-19H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
(3) InChIKey: IPKROYVAJAYRMZ-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	subcutaneous	600mg/kg (600mg/kg)		Archiv der Pharmazie Vol. 325, Pg. 393, 1992.

Product Name

oxalic acid, [1-(1-piperidyl)-3-propoxy-propan-2-yl] N-(2-pentoxypheny l)carbamate

Carbanilic acid, o-(pentyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate Specification

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