Home >> Chemicals Listing >> hot product list by P  

Pyridinium,1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]-, chloride (1:1) (14492-68-3)

Identification
Name:Pyridinium,1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]-, chloride (1:1)
Synonyms:Pyridinium,1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]-, chloride (9CI);Pyridinium, 1-[[(2-hydroxyethyl)carbamoyl]methyl]-, chloride, stearate (8CI);1-[2-Oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]pyridinium chloride;Emcol E 607S;N-[[N-(2-Stearoyloxyethyl)carbamoyl]methyl]pyridinium chloride;Quaternium 7;Steapyrium chloride;Stearoyl colaminoformylmethylpyridiniumchloride;
CAS:14492-68-3
EINECS: 238-501-3
Molecular Formula: C27H47ClN2O3
Molecular Weight: 483.13
InChI: InChI=1S/C27H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29;/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3;1H
Molecular Structure: (C27H47ClN2O3) Pyridinium,1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]-, chloride (9CI);Pyridinium, 1-[[(...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Appearance:COA
Specification:

The Steapyrium chloride, with the CAS registry number 14492-68-3 and EINECS registry number 238-501-3, has the systematic name of 1-(2-{[2-(octadecanoyloxy)ethyl]amino}-2-oxoethyl)pyridinium chloride. And the molecular formula of the chemical is C27H47ClN2O3.

The characteristics of Steapyrium chloride are as followings: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 707.74; (6)ACD/BCF (pH 7.4): 707.76; (7)ACD/KOC (pH 5.5): 3815.41; (8)ACD/KOC (pH 7.4): 3815.52; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 50.49 Å2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O=C(NCCOC(=O)CCCCCCCCCCCCCCCCC)C[n+]1ccccc1
(2)InChI: InChI=1/C27H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29;/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3;1H
(3)InChIKey: LNEXUGPWTFNCSO-UHFFFAOYAQ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00178,

Flash Point: °C
Safety Data
 

Other Product