1-Dodecanaminium,N,N,N-tridodecyl-, bromide (1:1) supplier

Name
TETRADODECYLAMMONIUM BROMIDE
EINECS 238-937-4
CAS No. 14866-34-3
Density
Solubility
Melting Point 87-90 °C
Formula C₄₈H₁₀₀BrN
Boiling Point
Molecular Weight 771.23
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Dodecanaminium,N,N,N-tridodecyl-, bromide (9CI);Ammonium, tetradodecyl-, bromide (8CI);Tetradodecylammonium bromide (7CI);Tetralaurylammonium bromide;N,N,N-Tridodecyldodecan-1-aminium bromide;
PSA 0.00000
LogP 14.49080

1-Dodecanaminium,N,N,N-tridodecyl-, bromide (1:1) Specification

The 1-Dodecanaminium,N,N,N-tridodecyl-, bromide (1:1), with the CAS registry number 14866-34-3, is also known as N,N,N-Tridodecyldodecan-1-aminium bromide. Its EINECS number is 238-937-4. This chemical's molecular formula is C₄₈H₁₀₀BrN and molecular weight is 771.22. What's more, its IUPAC name is tetradodecylazanium bromide.

Physical properties of 1-Dodecanaminium,N,N,N-tridodecyl-, bromide (1:1) are: (1)ACD/LogP: 11.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.37; (4)ACD/LogD (pH 7.4): 11.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 44.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]
(2)InChI: InChI=1S/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: SMEFTBPJZGVAPK-UHFFFAOYSA-M

Product Name

TETRADODECYLAMMONIUM BROMIDE

1-Dodecanaminium,N,N,N-tridodecyl-, bromide (1:1) Specification

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