Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate Hydrochloride - CAS 212958-77-5
Catalog: |
BB016756 |
Product Name: |
Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate Hydrochloride |
CAS: |
212958-77-5 |
Synonyms: |
1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid methyl ester;hydrochloride; methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride |
IUPAC Name: | methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride |
Description: | Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate Hydrochloride (CAS# 212958-77-5 ) is a useful research chemical. |
Molecular Weight: | 227.69 |
Molecular Formula: | C11H14ClNO2 |
Canonical SMILES: | COC(=O)C1C2=CC=CC=C2CCN1.Cl |
InChI: | InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10;/h2-5,10,12H,6-7H2,1H3;1H |
InChI Key: | DSWUNNVFNAJVCA-UHFFFAOYSA-N |
LogP: | 2.17720 |
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 |
WO-2018047983-A1 | Indane derivatives useful as modulators of mglur7 | 20160907 |
AU-2009225883-A1 | Quinolizidinone M1 receptor positive allosteric modulators | 20080321 |
CA-2716921-A1 | Quinolizidinone m1 receptor positive allosteric modulators | 20080321 |
EP-2268280-A2 | Quinolizidinone m1 receptor positive allosteric modulators | 20080321 |
EP-2268280-B1 | Quinolizidinone M1 receptor positive allosteric modulators | 20080321 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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