Mal-C6-amine TFA salt - ≥95% , CAS No.731862-92-3

CAS: 731862-92-3 Cat. No.: M595384 Fórmula: C₁₂H₁₇F₃N₂O₄ Peso molecular: 310.27 Número EC: 878-216-7

GRADE & PURITY ≥95%

Synonyms

FT-0604046 | F19861 | SCHEMBL4971470 | 1-(6-aminohexyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid | Mal-C6-amine (TFA) | A866126 | Trifluoroacetic acid--1-(6-aminohexyl)-1H-pyrrole-2,5-dione (1/1) | N-(6-Aminohexyl)maleimide trifluoroacetate salt;1-(6-A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Mal-C6-amine TFA salt contains maleimide and amine end groups. Maleimides are react with thiol groups and form thiolester bonds between pH 6.5 to 7.5. The primary amine can react with carboxylic acids, activated NHS esters and other carbonyl compounds.

Specifications

Sinónimos

FT-0604046 | F19861 | SCHEMBL4971470 | 1-(6-aminohexyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid | Mal-C6-amine (TFA) | A866126 | Trifluoroacetic acid--1-(6-aminohexyl)-1H-pyrrole-2,5-dione (1/1) | N-(6-Aminohexyl)maleimide trifluoroacetate salt;1-(6-A

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=O)N(C1=O)CCCCCCN.C(=O)(C(F)(F)F)O

IUPAC Name

1-(6-aminohexyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

InChIKey

RBQIUIPYPXTLRY-UHFFFAOYSA-N

INCHI

1S/C10H16N2O2.C2HF3O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14;3-2(4,5)1(6)7/h5-6H,1-4,7-8,11H2;(H,6,7)

Isómeros SMILES

C1=CC(=O)N(C1=O)CCCCCCN.C(=O)(C(F)(F)F)O

Peso molecular

310.27

Reaxy-Rn

27743098

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27743098&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Alpha-halocarboxylic acids Tertiary amines Amino acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid imide - Dicarboximide - Pyrroline - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Primary amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

• Peso molecular: 310.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 310.114 Da
• Monoisotopic Mass: 310.114 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• 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