Home > Products > Materials Science P49 > Benzene-1,2,3,4,5,6-hexaamine trihydrochloride

Benzene-1,2,3,4,5,6-hexaamine trihydrochloride

Catalog Number: EVT-1486925

CAS Number: 126521-82-2

Molecular Formula: C₆H₁₅Cl₃N₆

Molecular Weight: 277.58

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Product Introduction

Description

Benzene-1,2,3,4,5,6-hexaamine trihydrochloride, also known as 1,2,3,4,5,6-Benzenehexamine Trihydrochloride, is a compound with the molecular formula C6H15Cl3N6. It has a molecular weight of 277.6 g/mol. This compound is used as a reagent in the preparation of 2-(benzimidazol-2-yl)quinoxalines as selective antagonists at human A1 and A3 adenosine receptors.

Molecular Structure Analysis

The molecular structure of Benzene-1,2,3,4,5,6-hexaamine trihydrochloride is represented by the canonical SMILES notation: C1(=C(C(=C(C(=C1N)N)N)N)N)N.Cl.Cl.Cl. This notation represents the structure of the molecule in a linear format.

Physical And Chemical Properties Analysis

Benzene-1,2,3,4,5,6-hexaamine trihydrochloride has a molecular weight of 277.6 g/mol. It has a hydrogen bond donor count of 9 and a hydrogen bond acceptor count of 6. The compound has a topological polar surface area of 156 Å². The exact mass and monoisotopic mass of the compound are 276.042378 g/mol.

Properties

CAS Number

126521-82-2

Product Name

Benzene-1,2,3,4,5,6-hexaamine trihydrochloride

IUPAC Name

benzene-1,2,3,4,5,6-hexamine;trihydrochloride

Molecular Formula

C₆H₁₅Cl₃N₆

Molecular Weight

277.58

InChI

InChI=1S/C6H12N6.3ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h7-12H2;3*1H

SMILES

C1(=C(C(=C(C(=C1N)N)N)N)N)N.Cl.Cl.Cl

Synonyms

Hexaaminobenzene Trihydrochloride; Benzenehexamine Trihydrochloride

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