Diaminomaleonitrile - ≥96% , CAS No.1187-42-4

CAS: 1187-42-4 Cat. No.: D154866 Formule: C₄H₄N₄ Poids moléculaire: 108.1 Beilstein Registry Number: 878333 Numéro CE: 214-697-6

GRADE & PURITY ≥96%

Synonyms

Q21099121 | CCRIS 921 | (2Z)-diaminobut-2-enedinitrile | DTXCID004923 | SCHEMBL170 | UNII-E8C63N8TWR | CAS-1187-42-4 | D1335 | P19757 | 2,3-Diaminomaleonitrile | N-(2-Hydroxyethyl)-N-[3-(4-nitrophenyl)]propylamine | (2Z)-2,3-Diamino-2-butenedinitrile # |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Q21099121 | CCRIS 921 | (2Z)-diaminobut-2-enedinitrile | DTXCID004923 | SCHEMBL170 | UNII-E8C63N8TWR | CAS-1187-42-4 | D1335 | P19757 | 2,3-Diaminomaleonitrile | N-(2-Hydroxyethyl)-N-[3-(4-nitrophenyl)]propylamine | (2Z)-2,3-Diamino-2-butenedinitrile # |

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 488192226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192226
• Sourires canoniques: C(#N)C(=C(C#N)N)N
• IUPAC Name: (Z)-2,3-diaminobut-2-enedinitrile
• InChIKey: DPZSNGJNFHWQDC-ARJAWSKDSA-N
• INCHI: 1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-
• Isomères SMILES: C(#N)/C(=C(\C#N)/N)/N
• WGK Allemagne: 3
• Numéro ONU: UN3439
• Groupe d'emballage: III
• Poids moléculaire: 108.1
• Beilstein: 878333
• Reaxy-Rn: 8253801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8253801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Enamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Enamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

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Discover Target: NR1H4

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Cibles associées (non humaines)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Plasmodium falciparum (966862 Activities)

Explore this target

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Very soluble in Dimethylformamide; Very slightly soluble in Benzene
• Sensibilité: light sensitive
• Point de fusion (°C): 178-179°C
• Poids moléculaire: 108.100 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 108.044 Da
• Monoisotopic Mass: 108.044 Da
• Topological Polar Surface Area: 99.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 183.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1187-42-4, the molecular formula is C4H4N4, and the molecular weight is 108.1 g/mol. InChIKey DPZSNGJNFHWQDC-ARJAWSKDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.