CID 12444861

Base Information

• Chemical Name: CID 12444861
• CAS No.: 25990-48-1
• Molecular Formula: C₈H₁₃N₅O₂
• Molecular Weight: 211.224
• DSSTox Substance ID: DTXSID20498506
• Nikkaji Number: J17.238C
• Wikidata: Q82348599
• Mol file: 25990-48-1.mol

Synonyms:25990-48-1;DTXSID20498506;(1S,4R,6S,7R,11R)-9-amino-2,5,8,10-tetrazatricyclo[5.3.1.04,11]undec-9-ene-6-carboxylic acid

Chemical Property of CID 12444861

Chemical Property:

• Boiling Point: 501.8±60.0 °C(Predicted)
• PKA: 1.93±0.20(Predicted)
• PSA: 109.27000
• Density: 2.45±0.1 g/cm3(Predicted)
• LogP: -1.13200
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.10692467
• Heavy Atom Count: 15
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3C(C(N2)C(=O)O)NC(=NC3N1)N
• Isomeric SMILES: C1[C@H]2[C@@H]3[C@H]([C@H](N2)C(=O)O)NC(=N[C@@H]3N1)N

Technology Process of CID 12444861

There total 2 articles about CID 12444861 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:

→ Viocidinsaeure (25990-48-1)

Guidance literature:

Aus N^$a-Formyltuberactidin-Dimeren I;

DOI:10.1246/bcsj.46.949

Reference yield:

→ Viocidinsaeure (25990-48-1)

Guidance literature:

Viomycin, H+;

DOI:10.7164/antibiotics.22.133