2-Cyano-1-aziridinecarboxamide

Base Information

• Chemical Name: 2-Cyano-1-aziridinecarboxamide
• CAS No.: 56368-59-3
• Molecular Formula: C₄H₅N₃O
• Molecular Weight: 111.103
• European Community (EC) Number: 684-538-7
• DSSTox Substance ID: DTXSID60971803
• Nikkaji Number: J395.499D
• ChEMBL ID: CHEMBL146639
• Mol file: 56368-59-3.mol

Synonyms:BA 1;BA-1;N-(2-cyanoethylene)urea

Chemical Property of 2-Cyano-1-aziridinecarboxamide

Chemical Property:

• Vapor Pressure: 0.000308mmHg at 25°C
• Boiling Point: 320.9°Cat760mmHg
• Flash Point: 147.9°C
• PSA: 70.88000
• Density: 1.42g/cm³
• LogP: -0.27542
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.043261792
• Heavy Atom Count: 8
• Complexity: 167

Purity/Quality:

98% ^*data from raw suppliers

BA1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1C(=O)N)C#N
• Uses: BA 1 is a potent bombesin receptor subtype 3 (BRS-3) agonist. Also it enhances glucose transport in obese and diabetic primary myocytes.

Technology Process of 2-Cyano-1-aziridinecarboxamide

There total 3 articles about 2-Cyano-1-aziridinecarboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-cyano-aziridine-1-carboxylic acid ethyl ester (67276-89-5) → 2-Cyan-1-aziridin-carboxamid (56368-59-3)

Guidance literature:

With ammonia; In diethyl ether; water;

Reference yield:

phenyl 2-cyano-1-aziridine-carboxylate (67276-78-2) → 2-Cyan-1-aziridin-carboxamid (56368-59-3)

Guidance literature:

With ammonia; In diethyl ether;

Reference yield:

→ 2-Cyan-1-aziridin-carboxamid (56368-59-3)

Guidance literature:

2-Cyan-1-aziridincarbonsaeure-phenylester, NH3/Ae.;

upstream raw materials:

2-cyano-aziridine-1-carboxylic acid ethyl ester

phenyl 2-cyano-1-aziridine-carboxylate

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