N-[[2'-(1H-Tetrazol-5-Yl)[1,1'-Biphenyl]-4-Yl]Methyl]Amine - CAS 147225-68-1
Catalog: |
BB057450 |
Product Name: |
N-[[2'-(1H-Tetrazol-5-Yl)[1,1'-Biphenyl]-4-Yl]Methyl]Amine |
CAS: |
147225-68-1 |
Synonyms: |
2'-(2H-Tetrazol-5-yl)[1,1'-biphenyl]-4-methanamine; [4-[2-(2H-Tetrazol-5-yl)phenyl]phenyl]methanamine |
IUPAC Name: | [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine |
Description: | N-[[2'-(1H-Tetrazol-5-Yl)[1,1'-Biphenyl]-4-Yl]Methyl]Amine can be used for antibacterial and antifungal activities. |
Molecular Weight: | 251.29 |
Molecular Formula: | C14H13N5 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=C(C=C2)CN)C3=NNN=N3 |
InChI: | InChI=1S/C14H13N5/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14/h1-8H,9,15H2,(H,16,17,18,19) |
InChI Key: | QSRSXEHFQCQDRK-UHFFFAOYSA-N |
Melting Point: | >225°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Narasaiah, T., et.al. Pharmacia Lettre, 4, 854-862, (2012). |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.11709544 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.11709544 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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