4-(5-Methyltetrazol-2-yl)aniline - CAS 1192064-56-4
Catalog: |
BB043004 |
Product Name: |
4-(5-Methyltetrazol-2-yl)aniline |
CAS: |
1192064-56-4 |
Synonyms: |
4-(5-Methyl-2H-tetrazol-2-yl)aniline; 4-(5-Methyl-1,2,3,4-tetraazol-2-yl)phenylamine; SCHEMBL720834 |
IUPAC Name: | 4-(5-methyltetrazol-2-yl)aniline |
Description: | 4-(5-Methyltetrazol-2-yl)aniline (CAS# 1192064-56-4 ) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C8H9N5 |
Canonical SMILES: | CC1=NN(N=N1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C8H9N5/c1-6-10-12-13(11-6)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3 |
InChI Key: | ADRHVEKADLWUGK-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.08579531 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.08579531 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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