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63905-54-4

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Basic Information
CAS No.: 63905-54-4
Name: 4-(ethoxycarbonyl)-1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidinium chloride
Molecular Structure:
Molecular Structure of 63905-54-4 (4-(ethoxycarbonyl)-1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidinium chloride)
Formula: C23H29 N O4 . Cl H
Molecular Weight: 419.99
Synonyms: 4-Piperidinecarboxylicacid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride (9CI)
Density: g/cm3
Boiling Point: 534.2°Cat760mmHg
Flash Point: 276.9°C
Safety: Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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  • ethyl1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylatechloride

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    63905-54-4

    ethyl1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylatechloride

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as primary a

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Chemistry

Product Name: 4-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochloride (CAS NO.63905-54-4)


Molecular Formula: C23H29NO4•ClH
Molecular Weight: 419.99g/mol
Mol File: 63905-54-4.mol
Boiling point: 534.2 °C at 760 mmHg
Flash Point: 276.9 °C
Enthalpy of Vaporization: 85.3 kJ/mol
Vapour Pressure: 3.05E-12 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of 4-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochloride (CAS NO.63905-54-4):
  IUPAC Name: Ethyl1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylatechloride
  Canonical SMILES: CCOC(=O)C1(CC[NH+](CC1)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-]
  InChI: InChI=1S/C23H29NO4.ClH/c1-2-27-22(26)23(19-9-5-3-6-10-19)13-15-24(16-14-23)17-20(25)18-28-21-11-7-4-8-12-21;/h3-12,20,25H,2,13-18H2,1H3;1H 
  InChIKey: YOTISNNICHWTFC-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 419mg/kg (419mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacy and Pharmacology. Vol. 12, Pg. 449, 1960.
mouse LD50 subcutaneous 145mg/kg (145mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacy and Pharmacology. Vol. 12, Pg. 449, 1960.

Safety Profile

Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 4-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochloride , its CAS NO. is 63905-54-4, the synonyms are B.D.H. 200 hydrochloride ; Isonipecotic acid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride .