7-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride - CAS 220247-73-4
Catalog: |
BB017296 |
Product Name: |
7-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride |
CAS: |
220247-73-4 |
Synonyms: |
7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride; 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
IUPAC Name: | 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
Description: | 7-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride (CAS# 220247-73-4) is a useful research chemical. |
Molecular Weight: | 248.55 |
Molecular Formula: | C9H11BrClN |
Canonical SMILES: | C1CNCC2=C1C=CC(=C2)Br.Cl |
InChI: | InChI=1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H |
InChI Key: | GAQFCKRSCLDDJH-UHFFFAOYSA-N |
Boiling Point: | 282.9 ℃ at 760 mmHg |
MDL: | MFCD03094742 |
LogP: | 3.22560 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020116660-A1 | Macrocyclic compound and use thereof | 20181205 |
TW-202039494-A | Macrocyclic compound and use thereof | 20181205 |
CN-113164468-A | Macrocyclic compounds and uses thereof | 20181205 |
KR-20210099622-A | Macrocyclic compounds and their uses | 20181205 |
WO-2020020800-A1 | Novel piperazine compounds for the treatment of autoimmune disease | 20180723 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Quinoline/Isoquinoline
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