6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride - CAS 2328-12-3
Catalog: |
BB017995 |
Product Name: |
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride |
CAS: |
2328-12-3 |
Synonyms: |
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
IUPAC Name: | 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
Description: | 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS# 2328-12-3) is an intermediate in the synthesis of tetrahydroisoquinoline derivatives with potential antitumor activities. |
Molecular Weight: | 229.70 |
Molecular Formula: | C11H15NO2 · HCl |
Canonical SMILES: | COC1=C(C=C2CNCCC2=C1)OC.Cl |
InChI: | InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H |
InChI Key: | SHOWAGCIRTUYNA-UHFFFAOYSA-N |
Boiling Point: | 314.9 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.071 g/cm3 |
Appearance: | White to slightly beige shiny flakes or |
MDL: | MFCD00012744 |
LogP: | 2.48030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020025020-A1 | Medical use of hydroxy-substituted tetrahydroisoquinoline compounds | 20180801 |
WO-2020009653-A1 | Novel bronchodilating hetero-linked amides | 20180706 |
EP-3818055-A1 | Novel bronchodilating hetero-linked amides | 20180706 |
US-2021139455-A1 | Novel bronchodilating hetero-linked amides | 20180706 |
US-2021101922-A1 | Novel ruthenium complexes and their use in olefin metathesis reactions | 20180416 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0869564 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Quinoline/Isoquinoline
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