Ethyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate - CAS 1350468-72-2
Catalog: |
BB008055 |
Product Name: |
Ethyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate |
CAS: |
1350468-72-2 |
Synonyms: |
5,6,7,8-tetrahydroquinoline-8-carboxylic acid ethyl ester; ethyl 5,6,7,8-tetrahydroquinoline-8-carboxylate |
IUPAC Name: | ethyl 5,6,7,8-tetrahydroquinoline-8-carboxylate |
Description: | Ethyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate (CAS# 1350468-72-2) is a useful research chemical. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | CCOC(=O)C1CCCC2=C1N=CC=C2 |
InChI: | InChI=1S/C12H15NO2/c1-2-15-12(14)10-7-3-5-9-6-4-8-13-11(9)10/h4,6,8,10H,2-3,5,7H2,1H3 |
InChI Key: | KVJMXJLRPIIKAJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
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 |
EP-2571860-A1 | 2-phenyl benzoylamides | 20100521 |
US-2013072519-A1 | 2-phenyl benzoylamides | 20100521 |
WO-2011145022-A1 | 2-phenyl benzoylamides | 20100521 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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