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536-43-6

Basic Information
CAS No.: 536-43-6
Name: 1-Propanone,1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 536-43-6 (1-Propanone,1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1))
Formula: C18H27NO2.HCl
Molecular Weight: 325.92
Synonyms: 1-Propanone,1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (9CI);Propiophenone,4'-butoxy-3-piperidino-, hydrochloride (7CI,8CI);4'-Butoxy-3-piperidinopropiophenone hydrochloride;Diclonina;Diclonine;Dyclothane;Tanaclone;
EINECS: 208-633-6
Density:
Melting Point: 175-176 °C
Boiling Point: 424.5 °C at 760 mmHg
Flash Point: 210.5 °C
Solubility: Partly soluble in water. Soluble in chloroform, ethanol, acetone and methanol.
Appearance: White Crystalline Solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-37/38-41
Safety: 26-36
Transport Information:
PSA: 29.54000
LogP: 4.66410
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  • Supply 99% Dyclonine hydrochloride powder CAS:536-43-6 Dyclonine HCl

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  • 99% Dyclonine hydrochloride Dyclonine HCL

  • Casno:

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Specification

The Dyclonine hydrochloride is an organic compound with the formula C18H27NO2.HCl. The IUPAC name of this chemical is 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride. With the CAS registry number 536-43-6, it is also named as 1-(2-(4-Butoxybenzoyl)ethyl)piperidine Hydrochloride. The product's categories are Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it should be stored in a cool well-ventilated and dry place. It is used for surface anesthesia.

Physical properties about Dyclonine hydrochloride are: (1)ACD/LogP: 4.67; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 2.58; (5)ACD/BCF (pH 7.4): 72.05; (6)ACD/KOC (pH 5.5): 10.22; (7)ACD/KOC (pH 7.4): 285.31; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 29.54 Å2; (11)Flash Point: 210.5 °C; (12)Enthalpy of Vaporization: 67.9 kJ/mol; (13)Boiling Point: 424.5 °C at 760 mmHg; (14) Vapour Pressure: 2.06E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(c1ccc(OCCCC)cc1)CCN2CCCCC2
(2)InChI: InChI=1/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
(3)InChIKey: KNZADIMHVBBPOA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
(5)Std. InChIKey: KNZADIMHVBBPOA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 9500ug/kg (9.5mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 419, 1955.
dog LDLo oral 40mg/kg (40mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
Toxicology and Applied Pharmacology. Vol. 2, Pg. 616, 1960.
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.
mouse LD50 intravenous 20mg/kg (20mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 419, 1955.
mouse LD50 subcutaneous 37mg/kg (37mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.
mouse LDLo oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 616, 1960.
rabbit LD50 oral 240mg/kg (240mg/kg) BEHAVIORAL: ATAXIA Toxicology and Applied Pharmacology. Vol. 2, Pg. 616, 1960.
rat LD50 intraperitoneal 33mg/kg (33mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.
rat LD50 subcutaneous 201mg/kg (201mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 413, 1955.

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