Methyl 1,2,3,4-Tetrahydroisoquinoline-7-carboxylate Hydrochloride - CAS 220247-69-8
Catalog: |
BB017294 |
Product Name: |
Methyl 1,2,3,4-Tetrahydroisoquinoline-7-carboxylate Hydrochloride |
CAS: |
220247-69-8 |
Synonyms: |
1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid methyl ester;hydrochloride; methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride |
IUPAC Name: | methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride |
Description: | Methyl 1,2,3,4-Tetrahydroisoquinoline-7-carboxylate Hydrochloride (CAS# 220247-69-8) is a useful research chemical. |
Molecular Weight: | 227.69 |
Molecular Formula: | C11H14ClNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(CCNC2)C=C1.Cl |
InChI: | InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H |
InChI Key: | PUEZJQKDZBXXMM-UHFFFAOYSA-N |
MDL: | MFCD03094735 |
LogP: | 2.24970 |
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 |
CN-111205291-A | Triazolo ring compound, preparation method, intermediate and application thereof | 20181122 |
WO-2020103939-A1 | Triazolo cycle compound, preparation method therefor, intermediate thereof and application thereof | 20181122 |
JP-2021501220-A | Crosslinked bicyclic compounds as farnesoid X receptor modulators | 20171101 |
CN-110914254-A | Azole-substituted pyridine compound | 20170810 |
EP-3666766-A1 | Pyridine compound substituted with azole | 20170810 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.0713064 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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