Dibenzylcyanamide - ≥98% , CAS No.2451-91-4

CAS: 2451-91-4 Cat. No.: D154460 Formula: C₁₅H₁₄N₂ Peso molecolare: 222.29 Beilstein Registry Number: 12(4)2275 Numero EC: 661-279-8

GRADE & PURITY ≥98%

Synonyms

dibenzylcyanamide | dibenzyl-cyanamide | N,N-dibenzylcyanamide | N-Cyanodibenzylamine | STK373349 | A816006 | 1-Boc-piperidin-3-ylpropionicacid | GJAHYSLBRZODMY-UHFFFAOYSA-N | 4,7,7-trimethylnorbornan-2-ol;N-Carbamoyl-4-methylbenzenesulfonamide | Cyanamid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

dibenzylcyanamide | dibenzyl-cyanamide | N,N-dibenzylcyanamide | N-Cyanodibenzylamine | STK373349 | A816006 | 1-Boc-piperidin-3-ylpropionicacid | GJAHYSLBRZODMY-UHFFFAOYSA-N | 4,7,7-trimethylnorbornan-2-ol;N-Carbamoyl-4-methylbenzenesulfonamide | Cyanamid

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488188697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188697
• Sorrisi canonici: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C#N
• IUPAC Name: dibenzylcyanamide
• InChIKey: GJAHYSLBRZODMY-UHFFFAOYSA-N
• INCHI: 1S/C15H14N2/c16-13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2
• Isomeri SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C#N
• Peso molecolare: 222.29
• Beilstein: 12(4)2275
• Reaxy-Rn: 2215776
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Obiettivi associati (umani)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di ebollizione (°C): 148°C/10mmHg(lit.)
• Punto di fusione (°C): 54 °C
• Peso molecolare: 222.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.116 Da
• Monoisotopic Mass: 222.116 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 2451-91-4, the molecular formula is C15H14N2, and the molecular weight is 222.29 g/mol. InChIKey GJAHYSLBRZODMY-UHFFFAOYSA-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.