Dimethyldioctylammonium bromide supplier

Name
Dimethyldioctylammonium bromide
EINECS 221-189-8
CAS No. 3026-69-5
Article Data3
CAS DataBase
Density
Solubility
Melting Point 60-68 °C
Formula C₁₈H₄₀N^.Br
Boiling Point
Molecular Weight 350.426
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1-Octanaminium,N,N-dimethyl-N-octyl-, bromide (9CI);Ammonium, dimethyldioctyl-, bromide(8CI);Dimethyldioctylammonium bromide (6CI,7CI);Dioctyldimethylammoniumbromide;
PSA 0.00000
LogP 2.78780

Dimethyldioctylammonium bromide Specification

The Dimethyldioctylammonium bromide with the CAS number 3026-69-5 is also called 1-Octanaminium,N,N-dimethyl-N-octyl-, bromide (1:1). The systematic name is N,N-dimethyl-N-octyloctan-1-aminium bromide. Its molecular formula is C₁₈H₄₀N^.Br. The EINECS registry number is 221-189-8. This chemical belongs to the following product categories: (1)Ammonium Bromides (Quaternary); (2)Quaternary Ammonium Compounds.

The properties of the Dimethyldioctylammonium bromide are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 63.89; (8)ACD/KOC (pH 7.4): 63.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å².

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then 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)(CCCCCCCC)C)CC
(2)InChI: InChI=1/C18H40N.BrH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: APTVNWGLSRAOFJ-REWHXWOFAL

Product Name

Dimethyldioctylammonium bromide

Dimethyldioctylammonium bromide Specification

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