Methyl 1,2,3,4-Tetrahydroquinoline-5-carboxylate - CAS 939758-71-1
Catalog: |
BB041145 |
Product Name: |
Methyl 1,2,3,4-Tetrahydroquinoline-5-carboxylate |
CAS: |
939758-71-1 |
Synonyms: |
1,2,3,4-tetrahydroquinoline-5-carboxylic acid methyl ester; methyl 1,2,3,4-tetrahydroquinoline-5-carboxylate |
IUPAC Name: | methyl 1,2,3,4-tetrahydroquinoline-5-carboxylate |
Description: | Methyl 1,2,3,4-Tetrahydroquinoline-5-carboxylate (CAS# 939758-71-1) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | COC(=O)C1=C2CCCNC2=CC=C1 |
InChI: | InChI=1S/C11H13NO2/c1-14-11(13)9-4-2-6-10-8(9)5-3-7-12-10/h2,4,6,12H,3,5,7H2,1H3 |
InChI Key: | IAFNLUJAFAXVAA-UHFFFAOYSA-N |
MDL: | MFCD08544263 |
LogP: | 1.96930 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020207764-A1 | Dihydrobenzimidazolones for medical treatment | 20170904 |
WO-2019043217-A1 | DIHYDROBENZIMIDAZOLONES | 20170904 |
CN-111315735-A | Dihydrobenzimidazolones | 20170904 |
EP-3679027-A1 | Dihydrobenzimidazolones | 20170904 |
EP-3630770-A1 | Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors | 20170526 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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