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CAS No.: | 24465-45-0 |
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Name: | NORMEPERIDINE |
Molecular Structure: | |
Formula: | C14H20ClNO2 |
Molecular Weight: | 269.771 |
Synonyms: | 4-Piperidinecarboxylicacid, 4-phenyl-, ethyl ester, hydrochloride (9CI);Isonipecotic acid,4-phenyl-, ethyl ester, hydrochloride (6CI);Normeperidine hydrochloride; |
EINECS: | 246-276-8 |
Boiling Point: | 333.5 °C at 760 mmHg |
Flash Point: | 155.5 °C |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | 7-16-36/37-45 |
PSA: | 38.33000 |
LogP: | 3.00170 |
The Normeperidine hydrochloride, with the CAS registry number 24465-45-0, is also known as 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride. Its EINECS number is 246-276-8. This chemical's molecular formula is C14H20ClNO2 and molecular weight is 269.77. Its IUPAC name is called ethyl 4-phenylpiperidin-1-ium-4-carboxylate chloride.
Physical properties of Normeperidine hydrochloride: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): -0.57; (3)ACD/LogD (pH 7.4): 0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.13; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 155.5 °C; (12)Enthalpy of Vaporization: 57.64 kJ/mol; (13)Boiling Point: 333.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000136 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. Besides, this chemical that at low levels can cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. You should keep it away from sources of ignition - No smoking. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1(CC[NH2+]CC1)C2=CC=CC=C2.[Cl-]
(2)InChI: InChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H
(3)InChIKey: BBWMASBANDIFMV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 84mg/kg (84mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 112, Pg. 191, 1954. |
mouse | LD50 | intravenous | 63mg/kg (63mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12033, |