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Pyridinium, 1-dodecyl-, sulfate (1:1)

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Name

Pyridinium, 1-dodecyl-, sulfate (1:1)

EINECS 241-364-2
CAS No. 17342-21-1 Density N/A
PSA 89.69000 LogP 4.98040
Solubility N/A Melting Point N/A
Formula C17H30NO4S- Boiling Point N/A
Molecular Weight 344.49 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17342-21-1 (1-dodecylpyridinium hydrogen sulphate) Hazard Symbols N/A
Synonyms

Lauryl pyridinium bisulfate;Dehyquart D;Pilasol F;1-Dodecylpyridinium sulfate (1:1);1-Dodecylpyridin-1-ium sulfate;

 

Pyridinium, 1-dodecyl-, sulfate (1:1) Specification

The Pyridinium, 1-dodecyl-, sulfate (1:1), with the CAS registry number 17342-21-1, is also known as 1-Dodecylpyridinium sulfate (1:1). Its EINECS number is 241-364-2. This chemical's molecular formula is C17H30NO4S- and molecular weight is 344.49. What's more, its systematic name is 1-dodecylpyridin-1-ium sulfate.

Physical properties of Pyridinium, 1-dodecyl-, sulfate (1:1) are: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.06; (8)ACD/KOC (pH 7.4): 23.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 3.88 Å2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.[O-]S(=O)(=O)[O-]
(2)InChI: InChI=1S/C17H30N.H2O4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-5(2,3)4/h11,13-14,16-17H,2-10,12,15H2,1H3;(H2,1,2,3,4)/q+1;/p-2
(3)InChIKey: IQDVXXOBJULTFE-UHFFFAOYSA-L

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