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Dimethylditetradecylammonium bromide

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Name

Dimethylditetradecylammonium bromide

EINECS 268-474-3
CAS No. 68105-02-2 Density N/A
PSA 0.00000 LogP 7.46900
Solubility N/A Melting Point 167-169 °C
Formula C30H64BrN Boiling Point N/A
Molecular Weight 518.749 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68105-02-2 (Dimethylditetradecylammonium bromide) Hazard Symbols
Synonyms

1-Tetradecanaminium,N,N-dimethyl-N-tetradecyl-, bromide (9CI);Di-n-tetradecyldimethylammoniumbromide;Dimethyldimyristylammonium bromide;Dimethylditetradecylammoniumbromide;Dimyristyldimethylammonium bromide;Ditetradecyldimethylammoniumbromide;

Article Data 1

Dimethylditetradecylammonium bromide Specification

The Dimethylditetradecylammonium bromide, with the CAS registry number 68105-02-2, is also known as 1-Tetradecanaminium,N,N-dimethyl-N-tetradecyl-, bromide and Ditetradecyldimethylammonium bromide. It belongs to the product categories of Ammonium Bromides (Quaternary) and Quaternary Ammonium Compounds. Its EINECS registry number is 268-474-3. This chemical's molecular formula is C30H64BrN and molecular weight is 518.74. What's more, its IUPAC name is Dimethyl-di(tetradecyl)azanium bromide and systematic name is called N,N-Dimethyl-N-tetradecyltetradecan-1-aminium bromide. 

Physical properties about this chemical are: (1) ACD/LogP: 5.96; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.96; (4) ACD/LogD (pH 7.4): 5.96; (5) ACD/BCF (pH 5.5): 20066.68; (6) ACD/BCF (pH 7.4): 20066.68; (7) ACD/KOC (pH 5.5): 41811.75; (8) ACD/KOC (pH 7.4): 41811.75; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 26; (12) Polar Surface Area: 0 Å2; (13) Melting point: 167-169 °C.

When you are dealing with Dimethylditetradecylammonium bromide, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].C(CCCCC[N+](C)(CCCCCCCCCCCCCC)C)CCCCCCCC
(2) InChI: InChI=1/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
(3) InChIKey: IRMGVPILCPGYNQ-REWHXWOFAH

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