CAS No.3026-69-5,Dimethyldioctylammonium bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3026-69-5
Name:	Dimethyldioctylammonium bromide
Article Data:	3

Formula:	C₁₈H₄₀N^.Br
Molecular Weight:	350.426
Synonyms:	1-Octanaminium,N,N-dimethyl-N-octyl-, bromide (9CI);Ammonium, dimethyldioctyl-, bromide(8CI);Dimethyldioctylammonium bromide (6CI,7CI);Dioctyldimethylammoniumbromide;
EINECS:	221-189-8
Melting Point:	60-68 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	2.78780

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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