Products Categories
CAS No.: | 3165-81-9 |
---|---|
Name: | 1-Octadecylpyridinium chloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C23H42ClN |
Molecular Weight: | 368.046 |
Synonyms: | 1-Octadecylpyridiniumchloride (6CI,7CI);Pyridinium, 1-octadecyl-, chloride (8CI,9CI);Octadecylpyridinium chloride;Stearylpyridinium chloride;Pyridinium,1-octadecyl-, chloride (1:1); |
EINECS: | 221-626-2 |
Melting Point: | 220 °C |
PSA: | 3.88000 |
LogP: | 4.23960 |
What can I do for you?
Get Best Price
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