Methyl 1,2,3,4-Tetrahydroisoquinoline-6-carboxylate Hydrochloride - CAS 877861-62-6
Catalog: |
BB038631 |
Product Name: |
Methyl 1,2,3,4-Tetrahydroisoquinoline-6-carboxylate Hydrochloride |
CAS: |
877861-62-6 |
Synonyms: |
1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid methyl ester;hydrochloride; methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride |
IUPAC Name: | methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride |
Description: | Methyl 1,2,3,4-Tetrahydroisoquinoline-6-carboxylate Hydrochloride (CAS# 877861-62-6) is a useful research chemical. |
Molecular Weight: | 227.69 |
Molecular Formula: | C11H14ClNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(CNCC2)C=C1.Cl |
InChI: | InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H |
InChI Key: | YQROFCVHUWWCQO-UHFFFAOYSA-N |
Boiling Point: | 360.5 °C at 760 mmHg |
LogP: | 2.24970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201728581-A | Fxr receptor agonist | 20160201 |
WO-2017133521-A1 | Fxr receptor agonist | 20160201 |
CA-2972797-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
CN-107406451-B | Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
EP-3240791-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
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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