Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride - CAS 78183-55-8
Catalog: |
BB036125 |
Product Name: |
Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride |
CAS: |
78183-55-8 |
Synonyms: |
(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester;hydrochloride; methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride |
IUPAC Name: | methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride |
Description: | Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride (CAS# 78183-55-8 ) is a useful research chemical. |
Molecular Weight: | 227.69 |
Molecular Formula: | C11H14ClNO2 |
Canonical SMILES: | COC(=O)C1CC2=CC=CC=C2CN1.Cl |
InChI: | InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10;/h2-5,10,12H,6-7H2,1H3;1H/t10-;/m0./s1 |
InChI Key: | BUXCBOUGBHWQBE-PPHPATTJSA-N |
LogP: | 2.00470 |
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-2020013116-A1 | Ptp-1b inhibitor and use thereof | 20180710 |
CA-3078540-A1 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
US-2019270723-A1 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
WO-2019109046-A1 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
WO-2019109046-A9 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
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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