3,4-Diamino-3-cyclobutene-1,2-dione - CAS 5231-89-0
Catalog: |
BB027779 |
Product Name: |
3,4-Diamino-3-cyclobutene-1,2-dione |
CAS: |
5231-89-0 |
Synonyms: |
3,4-diaminocyclobut-3-ene-1,2-dione; 3,4-diaminocyclobut-3-ene-1,2-dione |
IUPAC Name: | 3,4-diaminocyclobut-3-ene-1,2-dione |
Description: | 3,4-Diamino-3-cyclobutene-1,2-dione (CAS# 5231-89-0) is a useful research chemical. |
Molecular Weight: | 112.09 |
Molecular Formula: | C4H4N2O2 |
Canonical SMILES: | C1(=C(C(=O)C1=O)N)N |
InChI: | InChI=1S/C4H4N2O2/c5-1-2(6)4(8)3(1)7/h5-6H2 |
InChI Key: | WUACDRFRFTWMHE-UHFFFAOYSA-N |
Boiling Point: | 213.8 °C at 760 mmHg |
Density: | 1.638 g/cm3 |
MDL: | MFCD00205212 |
LogP: | -0.33220 |
GHS Hazard Statement: | H315 (100%): 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-112538018-A | Method for continuous flow regioselective synthesis of 3-nitro salicylic acid | 20201217 |
US-2021315921-A1 | Compounds and Methods for Modifying iAge | 20200413 |
WO-2021211382-A1 | Compounds and methods for modifying iage | 20200413 |
KR-20210100259-A | A composition for prevention or treatment of hair loss comprising 3,4-diamino-3-cyclobutene-1,2-dione deravitives | 20200205 |
WO-2021158008-A1 | Composition for preventing or treating hair loss, comprising 3,4-diamino-3-cyclobutene-1,2-dione derivative | 20200205 |
PMID | Publication Date | Title | Journal |
31416666 | 20190915 | Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation | Bioorganic & medicinal chemistry letters |
27592390 | 20161129 | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation | European journal of medicinal chemistry |
22996637 | 20121015 | Conjugation of transferrin to azide-modified CdSe/ZnS core-shell quantum dots using cyclooctyne click chemistry | Angewandte Chemie (International ed. in English) |
22847715 | 20120914 | Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes | Organic & biomolecular chemistry |
22273875 | 20120307 | Synthesis and conformational studies of peptido-squaramide foldable modules: a new class of turn-mimetic compounds | Organic & biomolecular chemistry |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.027277375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 86.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.4 |
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