Trimethylpropylammonium bromide

Base Information

• Chemical Name: Trimethylpropylammonium bromide
• CAS No.: 2650-50-2
• Molecular Formula: C6H16 N . Br
• Molecular Weight: 182.104
• Hs Code.: 2923900090
• European Community (EC) Number: 220-172-2
• NSC Number: 97198
• UNII: FWF6WK28J5
• DSSTox Substance ID: DTXSID80883878
• Mol file: 2650-50-2.mol

Synonyms:Trimethylpropylammonium bromide;2650-50-2;n,n,n-trimethylpropan-1-aminium bromide;trimethyl(propyl)azanium;bromide;1-Propanaminium, N,N,N-trimethyl-, bromide (1:1);Propyltrimethylammonium bromide;1-Propanaminium, N,N,N-trimethyl-, bromide;FWF6WK28J5;EINECS 220-172-2;NSC 97198;NSC-97198;trimethyl(propyl)azanium bromide;C6H16BrN;UNII-FWF6WK28J5;C6H16N.Br;SCHEMBL814241;C6-H16-N.Br;DTXSID80883878;NSC97198;MFCD06227832;AKOS015833034;n,n,n-trimethylpropan-1-aminiumbromide;HY-W099930;1-Propanaminium,N,N-trimethyl-, bromide;AS-67673;CS-0152572;T2762;A925449

Chemical Property of Trimethylpropylammonium bromide

Chemical Property:

• Melting Point: 238°C(dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: -1.89340
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.04661
• Heavy Atom Count: 8
• Complexity: 42.6

Purity/Quality:

98%, ^*data from raw suppliers

Trimethylpropylammonium Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC[N+](C)(C)C.[Br-]

Technology Process of Trimethylpropylammonium bromide

There total 3 articles about Trimethylpropylammonium bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

propyl bromide (106-94-5) + trimethylamine (75-50-3) → Propyltrimethylammonium bromide (2650-50-2)

Guidance literature:

With nitromethane; ethanol;

Reference yield:

water (7732-18-5) + (2,3-dibromo-propyl)-trimethyl-ammonium; bromide (6340-39-2) → Propyltrimethylammonium bromide (2650-50-2)

Guidance literature:

Hydrogenation;

DOI:10.1021/ja01202a504

Reference yield:

→ Propyltrimethylammonium bromide (2650-50-2)

Guidance literature:

With palladium(II)-hydroxide-barium sulfate-catalyst; water; Hydrogenation;

DOI:10.1021/ja01202a504

upstream raw materials:

propyl bromide

trimethylamine

water

(2,3-dibromo-propyl)-trimethyl-ammonium; bromide

Downstream raw materials:

propene

N,N-dimethylaminopropane

N,N,N-trimethyl-N-propylammonium hydroxide

Refernces

• 1、 Dai, Kotaro,Nomoto, Kuniharu,Ueno, Shinji,Tomono, Kazuaki,Miyamura, Kazuo. "Odd-even effect and unusual behavior of dodecyl-substituted analogue observed in the crystal structure of alkyltrimethylammonium-[Ni(dmit) 2]- salts". experimental part. p. 312 - 319. Retrieved 2011/05/13.
• 2、 Kellett Jr.,Doggett. "Cholinergic anionic receptors. 3. Steric requirements for quaternary ammonium inhibitors of acetylcholinesterase II.". . p. 414 - 417. Retrieved 2007/10/05.