1-[(3S,5S)-5-(azidomethyl)pyrrolidin-3-yl]-4-phenyltriazole

Base Information

• Chemical Name: 1-[(3S,5S)-5-(azidomethyl)pyrrolidin-3-yl]-4-phenyltriazole
• CAS No.: 918313-44-7
• Molecular Formula: C13H15N7
• DSSTox Substance ID: DTXSID90475440
• Wikidata: Q82305976

Synonyms:CTK3H8080;918313-44-7;DTXSID90475440

Chemical Property of 1-[(3S,5S)-5-(azidomethyl)pyrrolidin-3-yl]-4-phenyltriazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 269.13889351
• Heavy Atom Count: 20
• Complexity: 362

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC1CN=[N+]=[N-])N2C=C(N=N2)C3=CC=CC=C3
• Isomeric SMILES: C1[C@@H](CN[C@@H]1CN=[N+]=[N-])N2C=C(N=N2)C3=CC=CC=C3

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