2,7-Dimethylquinoline-3-carboxylic acid ethyl ester - CAS 892874-65-6
Catalog: |
BB039419 |
Product Name: |
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester |
CAS: |
892874-65-6 |
Synonyms: |
ethyl 2,7-dimethylquinoline-3-carboxylate |
IUPAC Name: | ethyl 2,7-dimethylquinoline-3-carboxylate |
Description: | 2,7-Dimethylquinoline-3-carboxylic acid ethyl ester (CAS# 892874-65-6) is a useful research chemical. |
Molecular Weight: | 229.27 |
Molecular Formula: | C14H15NO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)C)C |
InChI: | InChI=1S/C14H15NO2/c1-4-17-14(16)12-8-11-6-5-9(2)7-13(11)15-10(12)3/h5-8H,4H2,1-3H3 |
InChI Key: | XECUIRQNZBISJF-UHFFFAOYSA-N |
Boiling Point: | 327.7 °C at 760 mmHg |
Density: | 1.125 g/cm3 |
LogP: | 3.02830 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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