(2-Aminoethyl)trimethylammonium chloride hydrochloride - ≥98% , CAS No.3399-67-5

CAS: 3399-67-5 Cat. No.: A339683 Peso molecular: 175.1 Beilstein Registry Number: 3730048 Número EC: 222-266-9 PubChem CID: 16211104

GRADE & PURITY ≥98%

Synonyms

AETMA | MFCD00012888 | 2-amino-n,n,n-trimethylethanaminiumchloridehydrochloride | Ethanaminium, 2-amino-N,N,N-trimethyl-, chloride, hydrochloride | N1,N1,N1-Trimethylethane-1,2-diaminium chloride | J-019413 | Q39047136 | SCHEMBL418025 | cholamine chloride

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AETMA | MFCD00012888 | 2-amino-n, n, n-trimethylethanaminiumchloridehydrochloride | Ethanaminium, 2-amino-N, N, N-trimethyl-, chloride, hydrochloride | N1, N1, N1-Trimethylethane-1, 2-diaminium chloride | J-019413 | Q39047136 | SCHEMBL418025 | cholamine chloride

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199077
• Sonrisas canónicas: C[N+](C)(C)CCN.Cl.[Cl-]
• IUPAC Name: 2-aminoethyl(trimethyl)azanium;chloride;hydrochloride
• InChIKey: GJBYCNLSIBQCRF-UHFFFAOYSA-M
• INCHI: 1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1
• Isómeros SMILES: C[N+](C)(C)CCN.Cl.[Cl-]
• WGK Alemania: 3
• PubChem CID: 16211104
• Peso molecular: 175.1
• Beilstein: 3730048

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic chloride salts Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Organic salt - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (100 mg/ml).
• Punto de fusión (°C): 260° C (lit.)(dec.)
• Peso molecular: 175.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.069 Da
• Monoisotopic Mass: 174.069 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 44.500
• 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: 3

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