1-Propanaminium,3-bromo-N,N,N-trimethyl-, bromide (1:1) (3779-42-8)

The CAS register number of (3-Bromopropyl)trimethylammonium bromide is 3779-42-8. It also can be called as 1-Propanaminium,3-bromo-N,N,N-trimethyl-, bromide (1:1) and the IUPAC name about this chemical is 3-bromopropyl(trimethyl)azanium bromide. It belongs to the following product categories, such as Ammonium Salts, Greener Alternatives: Catalysis, Phase Transfer Catalysts and so on.

Physical properties about (3-Bromopropyl)trimethylammonium bromide are: (1)ACD/LogP: -2.60; (2)ACD/LogD (pH 5.5): -2.6; (3)ACD/LogD (pH 7.4): -2.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3.

Preparation: this chemical can be prepared by 1,3-dibromo-propane and trimethylamine. This reaction will need reagent diethyl ether.

Uses of (3-Bromopropyl)trimethylammonium bromide: it can be used to produce (3-tert-butylperoxy-propyl)-trimethyl-ammonium; bromide with tert-butyl hydroperoxide. This reaction will need reagent KOH. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].BrCCC[N+](C)(C)
(2)InChI: InChI=1/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: NNZGNZHUGJAKKT-REWHXWOFAV
(4)Std. InChI: InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M