4-Amino-6-methoxyquinoline-3-carboxylic acid ethyl ester - CAS 908350-29-8
Catalog: |
BB039966 |
Product Name: |
4-Amino-6-methoxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
908350-29-8 |
Synonyms: |
ethyl 4-amino-6-methoxyquinoline-3-carboxylate |
IUPAC Name: | ethyl 4-amino-6-methoxyquinoline-3-carboxylate |
Description: | 4-Amino-6-methoxyquinoline-3-carboxylic acid ethyl ester (CAS# 908350-29-8) is a useful research chemical. |
Molecular Weight: | 246.26 |
Molecular Formula: | C13H14N2O3 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)OC |
InChI: | InChI=1S/C13H14N2O3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3,(H2,14,15) |
InChI Key: | KWSSHDCTTIZJJQ-UHFFFAOYSA-N |
LogP: | 1.93240 |
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 |
Publication Number | Title | Priority Date |
AU-2012295255-A1 | Sweet flavor modifier | 20110812 |
AU-2012295255-B2 | Sweet flavor modifier | 20110812 |
CA-2841012-A1 | Sweet flavor modifier | 20110812 |
CA-2841012-C | Sweet flavor modifier | 20110812 |
EP-2742026-A1 | Sweet flavor modifier | 20110812 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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