5-methoxy-2-(1H-tetrazol-1-yl)aniline - CAS 569648-15-3
Catalog: |
BB047051 |
Product Name: |
5-methoxy-2-(1H-tetrazol-1-yl)aniline |
CAS: |
569648-15-3 |
Synonyms: |
5-methoxy-2-(1,2,3,4-tetraazolyl)phenylamine; Benzenamine, 5-methoxy-2-(1H-1,2,3,4-tetrazol-1-yl)- |
IUPAC Name: | 5-methoxy-2-(tetrazol-1-yl)aniline |
Description: | 5-methoxy-2-(1H-tetrazol-1-yl)aniline (CAS# 569648-15-3 ) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C8H9N5O |
Canonical SMILES: | COC1=CC(=C(C=C1)N2C=NN=N2)N |
InChI: | InChI=1S/C8H9N5O/c1-14-6-2-3-8(7(9)4-6)13-5-10-11-12-13/h2-5H,9H2,1H3 |
InChI Key: | XIRTVSDJTGYPDJ-UHFFFAOYSA-N |
Boiling Point: | 403.6 ℃ at 760 mmHg |
Density: | 1.45 g/cm3 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.08070993 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.08070993 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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