4-(5-Ethyl-2H-tetrazol-2-yl)aniline - CAS 1245772-94-4
Catalog: |
BB053401 |
Product Name: |
4-(5-Ethyl-2H-tetrazol-2-yl)aniline |
CAS: |
1245772-94-4 |
Synonyms: |
4-(5-ethyl-1,2,3,4-tetraazol-2-yl)phenylamine |
IUPAC Name: | 4-(5-ethyltetrazol-2-yl)aniline |
Molecular Weight: | 189.22 |
Molecular Formula: | C9H11N5 |
Canonical SMILES: | CCC1=NN(N=N1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C9H11N5/c1-2-9-11-13-14(12-9)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3 |
InChI Key: | ZMLBHJLOJXUFQC-UHFFFAOYSA-N |
Boiling Point: | 397.2±44.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.10144537 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.10144537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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