1-Octadecylpyridinium chloride supplier

Name
1-Octadecylpyridinium chloride
EINECS 221-626-2
CAS No. 3165-81-9
Article Data3
CAS DataBase
Density
Solubility
Melting Point 220 °C
Formula C₂₃H₄₂ClN
Boiling Point
Molecular Weight 368.046
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Octadecylpyridiniumchloride (6CI,7CI);Pyridinium, 1-octadecyl-, chloride (8CI,9CI);Octadecylpyridinium chloride;Stearylpyridinium chloride;Pyridinium,1-octadecyl-, chloride (1:1);
PSA 3.88000
LogP 4.23960

1-Octadecylpyridinium chloride Specification

The 1-Octadecylpyridinium chloride, with the CAS registry number 3165-81-9, is also known as Pyridinium, 1-octadecyl-, chloride (1:1). Its EINECS registry number is 221-626-2. This chemical's molecular formula is C₂₃H₄₂ClN and molecular weight is 368.04. What's more, its IUPAC name is 1-Octadecylpyridin-1-ium chloride.

Physical properties about 1-Octadecylpyridinium chloride are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.14; (6)ACD/BCF (pH 7.4): 52.14; (7)ACD/KOC (pH 5.5): 589.92; (8)ACD/KOC (pH 7.4): 589.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 3.88 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].[n+]1(ccccc1)CCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C23H42N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17,19-20,22-23H,2-16,18,21H2,1H3;1H/q+1;/p-1
(3) InChIKey: WJDJWDHXZBNQNE-REWHXWOFAD

Product Name

1-Octadecylpyridinium chloride

1-Octadecylpyridinium chloride Specification

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