6-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride - CAS 215798-19-9
Catalog: |
BB016979 |
Product Name: |
6-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride |
CAS: |
215798-19-9 |
Synonyms: |
6-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride; 6-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
IUPAC Name: | 6-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
Description: | 6-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS# 215798-19-9) is a useful research chemical compound. |
Molecular Weight: | 248.55 |
Molecular Formula: | C9H11BrClN |
Canonical SMILES: | C1CNCC2=C1C=C(C=C2)Br.Cl |
InChI: | InChI=1S/C9H10BrN.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h1-2,5,11H,3-4,6H2;1H |
InChI Key: | ACCAGQFPUZGNNN-UHFFFAOYSA-N |
Boiling Point: | 316.4 ℃ at 760 mmHg |
Purity: | 98 % |
MDL: | MFCD08234662 |
LogP: | 3.22560 |
Publication Number | Title | Priority Date |
WO-2020020800-A1 | Novel piperazine compounds for the treatment of autoimmune disease | 20180723 |
CN-112584903-A | Novel piperazine compounds for the treatment of autoimmune diseases | 20180723 |
EP-3826724-A1 | Novel piperazine compounds for the treatment of autoimmune disease | 20180723 |
US-2021269423-A1 | Piperazine compounds for the treatment of autoimmune disease | 20180723 |
WO-2017223514-A1 | Lxr inverse agonists for treatment of cancer | 20160624 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.97634 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.97634 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Quinoline/Isoquinoline
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