Tetrazine-amine | CAS No. 1092689-33-2

Tetrazine-amine

Basic Information

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CAS Number

1092689-33-2

Molecular Formula

C9H9N5

Molecular Weight

187.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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NCc1ccc(cc1)c2nncnn2

InChI

InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9/h1-4,6H,5,10H2

InChIKey

JGCOJRPYFRRONJ-UHFFFAOYSA-N

LogP

0.3922999999999999

Topological Polar Surface Area

77.58 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

161

Safety Information

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Hazard Statement

Synonyms & References

English

Tetrazine – Amine, HCl salt
Tetrazine-Amine
Tetrazine-Amine,Tetrazine-NH2
(4-(1,2,4,5-TETRAZIN-3-YL)PHENYL)METHANAMINE
[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine
Tetrazine-amine HCl salt
FCH1278146
4-(1,2,4,5-Tetrazine-3-yl)benzylamine
(4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine HCL

MDL Number

MFCD20275288

FAQ

What are the physical and chemical properties of Tetrazine-amine (CAS: 1092689-33-2)?

Tetrazine-amine (CAS: 1092689-33-2) is a crystalline solid with a molecular weight of approximately 153.17 g/mol. It has a low solubility in water but is soluble in common organic solvents such as DMF, DMSO, and THF. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is also known for its stability under normal conditions but can undergo photolysis under UV light.

How is Tetrazine-amine (CAS: 1092689-33-2) typically synthesized?

Tetrazine-amine can be synthesized via the condensation reaction between tetrazine and amines. Commonly, the synthesis involves the coupling of a tetrazine derivative and an amine under anhydrous conditions. The use of an appropriate catalyst, such as triethylamine, can enhance reactivity and yield, typically achieving yields between 70-90%. The method allows for high selectivity and mild reaction conditions.

What industries use Tetrazine-amine (CAS: 1092689-33-2)?

Tetrazine-amine (CAS: 1092689-33-2) finds applications in various industries, particularly in pharmaceuticals for the synthesis of bioorthogonal reagents, polymers for developing smart materials, and sensors for detecting specific analytes. It is also utilized in the production of semiconductors for its electronic properties.

What precautions should be taken when handling Tetrazine-amine (CAS: 1092689-33-2)?

When handling Tetrazine-amine (CAS: 1092689-33-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure adequate ventilation and work in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, followed by thorough cleaning with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.