1,2,3,4-tetrahydro-6-quinolinecarboxylic acid - CAS 5382-49-0
Catalog: |
BB028363 |
Product Name: |
1,2,3,4-tetrahydro-6-quinolinecarboxylic acid |
CAS: |
5382-49-0 |
Synonyms: |
1,2,3,4-tetrahydroquinoline-6-carboxylic acid; 1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
IUPAC Name: | 1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
Description: | 1,2,3,4-tetrahydro-6-quinolinecarboxylic acid (CAS# 5382-49-0) is a useful research chemical. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | C1CC2=C(C=CC(=C2)C(=O)O)NC1 |
InChI: | InChI=1S/C10H11NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H,12,13) |
InChI Key: | ARNALYPZOYPNAF-UHFFFAOYSA-N |
Boiling Point: | 382.6 °C at 760 mmHg |
Density: | 1.223 g/cm3 |
Solubility: | >26.6 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00957087 |
LogP: | 1.88090 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264876-A | Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation | 20210528 |
WO-2021151014-A1 | Pgdh inhibitors and methods of making and using | 20200123 |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
WO-2020185738-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 20190311 |
WO-2020009176-A1 | Amide compound having bet proteolysis-inducing action and medicinal application thereof | 20180704 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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