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68527-84-4

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Basic Information
CAS No.: 68527-84-4
Name: Tetradecyldimethylethylammonium bromide
Article Data: 2
Molecular Structure:
Molecular Structure of 68527-84-4 (Tetradecyldimethylethylammonium bromide)
Formula: C18H40BrN
Molecular Weight: 350.426
Synonyms: 1-Tetradecanaminium,N-ethyl-N,N-dimethyl-, bromide (9CI);Ethyldimethyltetradecylammonium bromide;
EINECS: 271-290-6
PSA: 0.00000
LogP: 2.78780
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Specification

The Tetradecyldimethylethylammonium bromide, with the CAS registry number 68527-84-4, is also known as 1-Tetradecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1). Its EINECS registry number is 271-290-6. This chemical's molecular formula is C18H40BrN and molecular weight is 350.42. Its IUPAC name is called ethyl-dimethyl-tetradecylazanium bromide.

Physical properties of Tetradecyldimethylethylammonium bromide: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.68; (6)ACD/BCF (pH 7.4): 7.68; (7)ACD/KOC (pH 5.5): 149.75; (8)ACD/KOC (pH 7.4): 149.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
(2)InChI: InChI=1S/C18H40N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: ZDAHQDGJYAANRH-UHFFFAOYSA-M