(2-Hydroxyethyl)trimethylammonium Bromide - ≥98% , CAS No.1927-06-6

CAS: 1927-06-6 Cat. No.: C333456 Formula: C₅H₁₄BrNO Molecular Weight: 184.08 EC Number: 217-660-2

GRADE & PURITY ≥98%

Synonyms

AKOS015833071 | S9SDD93U5U | CXC75P7WK9 | NSC 293906 | F8881-3843 | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, bromide | TEDTP | Choline-methyl-13C bromide | NCGC00093659-01 | CHOLINEBROMIDE | Alimemazine S,S-dioxide | CCG-221484 | Choline Bromide | (2-hyd

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS015833071 | S9SDD93U5U | CXC75P7WK9 | NSC 293906 | F8881-3843 | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, bromide | TEDTP | Choline-methyl-13C bromide | NCGC00093659-01 | CHOLINEBROMIDE | Alimemazine S,S-dioxide | CCG-221484 | Choline Bromide | (2-hyd

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504754853

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754853

Canonical Smiles

C[N+](C)(C)CCO.[Br-]

IUPAC Name

2-hydroxyethyl(trimethyl)azanium;bromide

InChIKey

JJCWKVUUIFLXNZ-UHFFFAOYSA-M

INCHI

1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Isomeric SMILES

C[N+](C)(C)CCO.[Br-]

Molecular Weight

184.08

Reaxy-Rn

3912964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholines
• Alternative Parents: Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 298 °C
• Molecular Weight: 184.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.026 Da
• Monoisotopic Mass: 183.026 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1927-06-6, the molecular formula is C5H14BrNO, and the molecular weight is 184.08 g/mol. InChIKey JJCWKVUUIFLXNZ-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.