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9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)

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Name

9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)

EINECS N/A
CAS No. 64057-97-2 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C20H23ClN2O2 Boiling Point 492 °C at 760 mmHg
Molecular Weight 358.16 Flash Point 251.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64057-97-2 (1-{2-[(9H-carbazol-9-ylcarbonyl)oxy]ethyl}piperidinium chloride) Hazard Symbols N/A
Synonyms

9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, monohydrochloride (9CI);1-{2-[(9H-Carbazol-9-ylcarbonyl)oxy]ethyl}piperidinium chloride;

 

9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1) Specification

The 9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1), with the CAS registry number 64057-97-2, is also known as 1-{2-[(9H-Carbazol-9-ylcarbonyl)oxy]ethyl}piperidinium chloride. It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C20H23ClN2O2 and molecular weight is 358.14. What's more, its IUPAC name is called 2-Piperidin-1-ium-1-ylethyl carbazole-9-carboxylate chloride.

Physical properties about 9H-Carbazole-9-carboxylicacid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 5.491; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 4.50; (5)ACD/BCF (pH 5.5): 19.34; (6)ACD/BCF (pH 7.4): 891.56; (7)ACD/KOC (pH 5.5): 50.97; (8)ACD/KOC (pH 7.4): 2350.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 31.23 Å2; (13)Flash Point: 251.4 °C; (14)Enthalpy of Vaporization: 75.89 kJ/mol; (15)Boiling Point: 492 °C at 760 mmHg; (16)Vapour Pressure: 7.96E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(OCC[NH+]1CCCCC1)n4c2ccccc2c3c4cccc3
(2) InChI: InChI=1S/C20H22N2O2.ClH/c23-20(24-15-14-21-12-6-1-7-13-21)22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22;/h2-5,8-11H,1,6-7,12-15H2;1H
(3) InChIKey: CPIRVEAKCHZXJX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 47, Pg. 69, 1933.

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