2-Methoxy-5-nitroaniline - CAS 99-59-2
Catalog: |
BB042315 |
Product Name: |
2-Methoxy-5-nitroaniline |
CAS: |
99-59-2 |
Synonyms: |
2-methoxy-5-nitroaniline |
IUPAC Name: | 2-methoxy-5-nitroaniline |
Description: | 2-Methoxy-5-nitroaniline (CAS# 99-59-2) is a guanylate cyclase-C agonist currently being studied in Phase 3 trials for the treatment of irritable bowel syndrome with constipation. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3 |
InChI Key: | NIPDVSLAMPAWTP-UHFFFAOYSA-N |
Boiling Point: | 351.8 ℃ at 760 mmHg |
Melting Point: | 116-120 ℃ |
Purity: | 97 % |
Density: | 1.2068 g/cm3 |
Appearance: | Orange-red needles or orange powder. |
Storage: | Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxides |
MDL: | MFCD00007261 |
LogP: | 2.29000 |
Vapor Pressure: | 0.000319 [mmHg] |
GHS Hazard Statement: | H315 (85.11%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185417-A | Red base B separation process | 20210513 |
CN-112851532-A | Preparation method of 2-amino-4-nitrophenol | 20210122 |
KR-20210098765-A | Lens assembly constructs and smart device with lens assembly constructs | 20200203 |
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PMID | Publication Date | Title | Journal |
25460743 | 20150101 | Environmental fate of 2,4-dinitroanisole (DNAN) and its reduced products | Chemosphere |
23280483 | 20130601 | Pathways of reductive 2,4-dinitroanisole (DNAN) biotransformation in sludge | Biotechnology and bioengineering |
21881912 | 20120401 | Aerobic biotransformation of 2,4-dinitroanisole in soil and soil Bacillus sp | Biodegradation |
16140018 | 20051201 | Synthesis and antitumor activity of 5-(9-acridinylamino)anisidine derivatives | Bioorganic & medicinal chemistry |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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