Dimethyl 3-Aminopyrrole-2,4-dicarboxylate - CAS 180059-04-5
Catalog: |
BB013641 |
Product Name: |
Dimethyl 3-Aminopyrrole-2,4-dicarboxylate |
CAS: |
180059-04-5 |
Synonyms: |
3-amino-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester; dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate |
IUPAC Name: | dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate |
Description: | Dimethyl 3-Aminopyrrole-2,4-dicarboxylate (CAS# 180059-04-5) is a useful research chemical. |
Molecular Weight: | 198.18 |
Molecular Formula: | C8H10N2O4 |
Canonical SMILES: | COC(=O)C1=CNC(=C1N)C(=O)OC |
InChI: | InChI=1S/C8H10N2O4/c1-13-7(11)4-3-10-6(5(4)9)8(12)14-2/h3,10H,9H2,1-2H3 |
InChI Key: | VFKYODDQOZLTQL-UHFFFAOYSA-N |
Boiling Point: | 395.696 °C at 760 mmHg |
Density: | 1.359 g/cm3 |
MDL: | MFCD10566520 |
LogP: | 0.75130 |
GHS Hazard Statement: | H315 (97.5%): 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 |
AU-2013344422-A1 | Antiviral azasugar-containing nucleosides | 20121116 |
CA-2890905-A1 | Antiviral azasugar-containing nucleosides | 20121116 |
EP-2919785-A2 | Antiviral azasugar-containing nucleosides | 20121116 |
EP-3251674-A2 | Antiviral azasugar-containing nucleosides | 20121116 |
JP-2016504284-A | Nucleosides containing antiviral azasugars | 20121116 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.06405680 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.06405680 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 94.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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