13997-19-8
Product Name:
Nequinate
Formula:
C22H23NO4
Synonyms:
Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate;Methyl benzoquate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
Melting Point | 287 - 288 °C |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H413:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 365.4 g/mol |
---|---|
XLogP3 | 5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 8 |
Exact Mass | 365.16270821 g/mol |
Monoisotopic Mass | 365.16270821 g/mol |
Topological Polar Surface Area | 64.6 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 553 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nequinate is a member of quinolines.