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Dimethyldioctylammonium bromide

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Name

Dimethyldioctylammonium bromide

EINECS 221-189-8
CAS No. 3026-69-5 Density N/A
PSA 0.00000 LogP 2.78780
Solubility N/A Melting Point 60-68 °C
Formula C18H40N.Br Boiling Point N/A
Molecular Weight 350.426 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3026-69-5 (Dimethyldioctylammonium bromide) Hazard Symbols N/A
Synonyms

1-Octanaminium,N,N-dimethyl-N-octyl-, bromide (9CI);Ammonium, dimethyldioctyl-, bromide(8CI);Dimethyldioctylammonium bromide (6CI,7CI);Dioctyldimethylammoniumbromide;

Article Data 3

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

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