Methyl 3-isoquinolinecarboxylate - CAS 27104-73-0
Catalog: |
BB019464 |
Product Name: |
Methyl 3-isoquinolinecarboxylate |
CAS: |
27104-73-0 |
Synonyms: |
methyl isoquinoline-3-carboxylate |
IUPAC Name: | methyl isoquinoline-3-carboxylate |
Description: | Methyl 3-isoquinolinecarboxylate (CAS# 27104-73-0) is a useful research chemical. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | COC(=O)C1=CC2=CC=CC=C2C=N1 |
InChI: | InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3 |
InChI Key: | ZBCGBIZQNMVMPC-UHFFFAOYSA-N |
Boiling Point: | 344.6 ℃ at 760 mmHg |
Melting Point: | 84-88 ℃ |
Purity: | 98 % |
Density: | 1.21 g/cm3 |
Appearance: | Cream powder |
MDL: | MFCD00075138 |
LogP: | 2.02140 |
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-2021018839-A1 | Isoquinoline derivatives and their use for the treatment of parasitic infections | 20190730 |
WO-2021013978-A1 | Targeted radiopharmaceuticals for the diagnosis and treatment of prostate cancer | 20190725 |
CN-109384793-A | A kind of sulfur alcohol compound and its application with HDAC6 inhibitory activity | 20181123 |
CN-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 20181123 |
WO-2019242599-A1 | Tetrahydro isoquinoline derivative, preparation method therefor and use thereof | 20180619 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Quinoline/Isoquinoline
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