Diaminomaleonitrile - CAS 1187-42-4
Catalog: |
BB004250 |
Product Name: |
Diaminomaleonitrile |
CAS: |
1187-42-4 |
Synonyms: |
(Z)-2,3-diaminobut-2-enedinitrile |
IUPAC Name: | (Z)-2,3-diaminobut-2-enedinitrile |
Description: | Diaminomaleonitrile (CAS# 1187-42-4) is a reagent used for the synthesis of 1,4-diazepine-2,3-dicarbonitrile dervatives. Also, it is used for the synthesis of Diaminomaleonitrile-based Schiff bases with a donor-acceptor structure and an aggregation-enhanced emission feature. |
Molecular Weight: | 108.10 |
Molecular Formula: | C4H4N4 |
Canonical SMILES: | C(#N)C(=C(C#N)N)N |
InChI: | InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3- |
InChI Key: | DPZSNGJNFHWQDC-ARJAWSKDSA-N |
Boiling Point: | 444.7 °C at 760 mmHg |
Melting Point: | 352 to 365 °F |
Purity: | 95 % |
Density: | 1.36 g/cm3 |
Solubility: | less than 1 mg/mL at 63 °F |
Appearance: | Brown powder. |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00001870 |
LogP: | 0.56316 |
GHS Hazard Statement: | H301 (18.18%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214717-A | Preparation method of self-healing lithium battery diaphragm coating | 20210525 |
CN-113200890-A | Water-soluble fluorescent probe ZY16 for detecting hypochlorite ions based on diaminomaleonitrile, and preparation method and application thereof | 20210519 |
CN-113354587-A | Drying method of imidazolyl fluorine-containing lithium salt | 20210519 |
CN-113189160-A | Application of tetraphenylethylene derivative in electrochemiluminescence detection of hypochlorite ions | 20210514 |
CN-113372279-A | Synthetic method of 4, 5-dicyanoimidazole derivative | 20210513 |
PMID | Publication Date | Title | Journal |
23035476 | 20120901 | Amidoxime-grafted hydrothermal carbon microspheres for highly selective separation of uranium | Journal of nanoscience and nanotechnology |
22719695 | 20120601 | N,N,N',N'-Tetra-methyl-N'',N''-dipropyl-guanidinium chloride-(2Z)-2,3-diamino-but-2-enedinitrile (1/1) | Acta crystallographica. Section E, Structure reports online |
22590294 | 20120501 | 2-Amino-3-[(E)-(2-hy-droxy-3-methyl-benzyl-idene)amino]-but-2-ene-dinitrile | Acta crystallographica. Section E, Structure reports online |
22592603 | 20120501 | A novel one-pot pseudo-five-component condensation reaction towards bifunctional diazepine-tetrazole containing compounds: synthesis of 1H-tetrazolyl-1H-1,4-diazepine-2,3-dicarbonitriles and 1H-tetrazolyl-benzo[b][1,4]diazepines | Molecular diversity |
22245939 | 20120401 | Conformational and vibrational studies of isomeric hydrogen cyanide tetramers by quantum chemical methods | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 108.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 99.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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