1,2,3,4,5,6-Benzenehexamine Trihydrochloride
Product Information
Molecular Formula
C6H12N6·3HCl
Molecular Weight
168.20 + 3(36.46)
Description
1,2,3,4,5,6-Benzenehexamine trihydrochloride is used as a reagent in the preparation of 2-(benzimidazol-2-yl)quinoxalines as selective antagonists at human A1 and A3 adenosine receptors.
Synonyms
Hexaaminobenzene Trihydrochloride; Benzenehexamine Trihydrochloride
IUPAC Name
benzene-1,2,3,4,5,6-hexaminetrihydrochloride
SMILES
C1(=C(C(=C(C(=C1N)N)N)N)N)N.Cl.Cl.Cl
InChI
InChI=1S/C6H12N6.3ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H23*1H
InChI Key
YNFMGTBVYGZGBD-UHFFFAOYSA-N
Melting Point
>117°C (dec.)
Purity
97%
Solubility
DMSO (Slightly), Water
Appearance
Light Grey to Brown Solid
Storage
-20°C, Hygroscopic
Safety Information
Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P280-P301+P312-P302+P352-P305+P351+P338
GHS Pictogram
GHS07
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
9
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
276.042378
Monoisotopic Mass
276.042378
Topological Polar Surface Area
156
Heavy Atom Count
15
Formal Charge
0
Complexity
104
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113644228-A | Carbon-nitrogen-based polymer negative electrode material for potassium ion battery and preparation method and application thereof | 2021-08-12 |
| CN-113644228-B | Carbon-nitrogen-based polymer negative electrode material for potassium ion battery and preparation method and application thereof | 2021-08-12 |
| CN-113292725-A | Pyrazine two-dimensional organic porous material and its preparation method and application | 2021-05-19 |
| CN-113292725-B | Pyrazine two-dimensional organic porous material and its preparation method and application | 2021-05-19 |
| CN-113045721-A | Uniform nitrogen-doped graphene with interspersed distribution of 15N and 14N and its preparation method and application | 2021-02-18 |
| CN-113045721-B | Uniform nitrogen-doped graphene with interspersed distribution of 15N and 14N and its preparation method and application | 2021-02-18 |
| WO-2022174427-A1 | Uniform nitrogen-doped graphene with interspersed distribution of 15n and 14n, preparation method, and application | 2021-02-18 |
| CN-112795024-A | Ultrathin nanometer flower-shaped cobalt/hexa-aminobenzene conductive polymer and application thereof | 2019-11-13 |
| CN-110152712-B | Ru-based hydrogen evolution catalyst and preparation method and application thereof | 2019-06-06 |
| CN-109900750-B | Structural design for improving sensitivity of MoS2 film field effect transistor-based gas sensor | 2019-04-04 |
