2-(1,5-Dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid - CAS 925145-52-4
Catalog: |
BB049469 |
Product Name: |
2-(1,5-Dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid |
CAS: |
925145-52-4 |
Synonyms: |
2-(1,5-Dimethyl-1H-pyrazol-4-yl)-quinoline-4-carboxylic acid; 2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxylic acid |
IUPAC Name: | 2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid |
Description: | 2-(1,5-Dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid (CAS# 925145-52-4 ) is a useful research chemical. |
Molecular Weight: | 267.28 |
Molecular Formula: | C15H13N3O2 |
Canonical SMILES: | CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
InChI: | InChI=1S/C15H13N3O2/c1-9-12(8-16-18(9)2)14-7-11(15(19)20)10-5-3-4-6-13(10)17-14/h3-8H,1-2H3,(H,19,20) |
InChI Key: | HIAGTHWYOVNDNJ-UHFFFAOYSA-N |
Boiling Point: | 474.6±45.0 °C at 760 mmHg |
Density: | 1.32±0.1 g/cm3 |
Solubility: | 36.2 [ug/mL] (The mean of the results at pH 7.4) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.100776666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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