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1-Dodecylpyridinium bromide

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Name

1-Dodecylpyridinium bromide

EINECS 203-231-7
CAS No. 104-73-4 Density N/A
PSA 3.88000 LogP 1.89900
Solubility N/A Melting Point 148-149°C
Formula C17H30BrN Boiling Point N/A
Molecular Weight 328.336 Flash Point N/A
Transport Information N/A Appearance White to brownish creamy white powder
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 104-73-4 (1-Dodecylpyridinium bromide) Hazard Symbols Xi
Synonyms

1-Dodecylpyridiniumbromide (6CI);Pyridinium, 1-dodecyl-, bromide (8CI,9CI);Dodecylpyridinium bromide;Isothan Q 4;Laurosept;Laurylpyridinium bromide;N-Dodecylpyridinium bromide;N-Laurylpyridinium bromide;

Article Data 15

1-Dodecylpyridinium bromide Chemical Properties

Molecular Structure of 1-Dodecylpyridinium bromide (CAS NO.104-73-4):

IUPAC Name: 1-dodecylpyridin-1-ium bromide 
Empirical Formula: C17H30BrN
Molecular Weight: 328.3308
ACD/LogP: -0.03
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.03
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 23.06
ACD/KOC (pH 7.4): 23.06
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 3.88 Å2
InChI
InChI=1/C17H30N.BrH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
Smiles
c1ccc[n+](c1)CCCCCCCCCCCC.[BrH-]
EINECS: 203-231-7

1-Dodecylpyridinium bromide Specification

  1-Dodecylpyridinium bromide , with CAS number of 104-73-4, can be called pyridinium, 1-dodecyl-, bromide (1:1) ; Laurosept ; pyridinium, 1-dodecyl-, bromide .

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