3'-Chloro-5'-methyl-3-piperidino-4'-propoxy-propiophenone hydrochloride supplier

Name
1-(3-chloro-5-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride
EINECS
CAS No. 58763-27-2
Density
Solubility
Melting Point
Formula C₁₈H₂₇Cl₂NO₂
Boiling Point 453.4 °C at 760 mmHg
Molecular Weight 360.36
Flash Point 228 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms beta-Piperidinoaethyl-(3-chlor-4-propoxy-5-methylphenyl)-ketonhydrochlorid [German];3-Chloro-5-methyl-3-piperidino-4-propoxy-propiophenone hydrochloride;Propiophenone, 3-chloro-5-methyl-3-piperidino-4-propoxy-, hydrochloride;1-Propanone, 1-(3-chloro-5-methyl-4-propoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (9CI);1-(3-chloro-5-methyl-4-propoxy-phenyl)-3-(1-piperidyl)propan-1-one hydrochloride;β-PIPERIDINOAETHYL-(3-CHLOR-4-PROPOXY-5-METHYL PHENYL)-KETONHYDROCHLORID (GERMAN);1-(3-CHLORO-5-METHYL-4-PROPOXYPHENYL)-3-(1-PIPERIDINYL)1-PROPANONE HYDROCHLORIDE (9CI);
PSA
LogP

3'-Chloro-5'-methyl-3-piperidino-4'-propoxy-propiophenone hydrochloride Specification

The 3'-Chloro-5'-methyl-3-piperidino-4'-propoxy-propiophenone hydrochloride, with CAS registry number 58763-27-2, has the systematic name of 1-(3-chloro-5-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride. And its classification code is Drug / Therapeutic Agent.

Physical properties of 3'-Chloro-5'-methyl-3-piperidino-4'-propoxy-propiophenone hydrochloride: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 9.69; (6)ACD/BCF (pH 7.4): 294.43; (7)ACD/KOC (pH 5.5): 26.76; (8)ACD/KOC (pH 7.4): 813.38; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å²; (13)Enthalpy of Vaporization: 71.28 kJ/mol; (14)Vapour Pressure: 2.07E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc2cc(C(=O)CCN1CCCCC1)cc(c2OCCC)C
(2)InChI: InChI=1/C18H26ClNO2.ClH/c1-3-11-22-18-14(2)12-15(13-16(18)19)17(21)7-10-20-8-5-4-6-9-20;/h12-13H,3-11H2,1-2H3;1H
(3)InChIKey: GPPOXENIMMFDIX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C18H26ClNO2.ClH/c1-3-11-22-18-14(2)12-15(13-16(18)19)17(21)7-10-20-8-5-4-6-9-20;/h12-13H,3-11H2,1-2H3;1H
(5)Std. InChIKey: GPPOXENIMMFDIX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	50mg/kg (50mg/kg)	Pharmazie. Vol. 31, Pg. 21, 1976.
mouse	LD50	oral	460mg/kg (460mg/kg)	Pharmazie. Vol. 31, Pg. 21, 1976.
mouse	LD50	subcutaneous	330mg/kg (330mg/kg)	Pharmazie. Vol. 31, Pg. 21, 1976.

Product Name

1-(3-chloro-5-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride

3'-Chloro-5'-methyl-3-piperidino-4'-propoxy-propiophenone hydrochloride Specification

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