Decahydroquinoxaline - CAS 90410-24-5
Catalog: |
BB039845 |
Product Name: |
Decahydroquinoxaline |
CAS: |
90410-24-5 |
Synonyms: |
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline; 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline |
IUPAC Name: | 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline |
Description: | Decahydroquinoxaline (CAS# 90410-24-5) is a useful reagent in the preparation of piperazines via the biocatalytic reaction of diamines with dicarbonyl compounds. |
Molecular Weight: | 140.23 |
Molecular Formula: | C8H16N2 |
Canonical SMILES: | C1CCC2C(C1)NCCN2 |
InChI: | InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2 |
InChI Key: | MDEXMBGPIZUUBI-UHFFFAOYSA-N |
Boiling Point: | 231.555 °C at 760 mmHg |
Density: | 0.932 g/cm3 |
LogP: | 1.14800 |
Publication Number | Title | Priority Date |
JP-6912016-B1 | STING working compound | 20200410 |
WO-2021205631-A1 | Sting agonistic compound | 20200410 |
WO-2021206158-A1 | Method of cancer therapy | 20200410 |
WO-2021206160-A1 | Antibody-drug complex | 20200410 |
JP-2021151996-A | Pharmaceutical composition containing a phenylacetic acid compound | 20200319 |
PMID | Publication Date | Title | Journal |
18595721 | 20080801 | Design, synthesis, and biological evaluation of pirenzepine analogs bearing a 1,2-cyclohexanediamine and perhydroquinoxaline units in exchange for the piperazine ring as antimuscarinics | Bioorganic & medicinal chemistry |
Complexity: | 99.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.131348519 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 24.1 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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