Pethidine HCl supplier | CasNO.55989-09-8

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Name
ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate hydrochloride
EINECS
CAS No. 55989-09-8
Density g/cm³
Solubility
Melting Point
Formula C₁₅H₂₂ClNO₂
Boiling Point 328.9 °C at 760 mmHg
Molecular Weight 283.798
Flash Point 111.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester, hydrochloride, (+-)-;ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate hydrochloride;(+-)-1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester hydrochloride;(+-)-Pethidine hydrochloride;
PSA 29.54000
LogP 2.95300

Pethidine HCl Specification

The Pethidine HCl, with CAS registry number 55989-09-8, has the systematic name of ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride (1:1). Besides this, it is also called (±)-Pethidine Hydrochloride. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₁₅H₂₂ClNO₂.

Physical properties of Pethidine HCl: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 28.51; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 111.6 °C; (14)Enthalpy of Vaporization: 57.13 kJ/mol; (15)Boiling Point: 328.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2(c1ccccc1)CCN(C)CC2.Cl
(2)InChI: InChI=1/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
(3)InChIKey: WCNLCIJMFAJCPX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
(5)Std. InChIKey: WCNLCIJMFAJCPX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	130mg/kg (130mg/kg)	BEHAVIORAL: EXCITEMENT	Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 12, Pg. 39, 1974.

Product Name

ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate hydrochloride

Pethidine HCl Specification

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