2-Methyl-5-(1H-tetrazol-1-yl)aniline - CAS 384860-18-8
Catalog: |
BB023684 |
Product Name: |
2-Methyl-5-(1H-tetrazol-1-yl)aniline |
CAS: |
384860-18-8 |
Synonyms: |
2-methyl-5-(tetrazol-1-yl)aniline |
IUPAC Name: | 2-methyl-5-(tetrazol-1-yl)aniline |
Description: | 2-Methyl-5-(1H-tetrazol-1-yl)aniline (CAS# 384860-18-8) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C8H9N5 |
Canonical SMILES: | CC1=C(C=C(C=C1)N2C=NN=N2)N |
InChI: | InChI=1S/C8H9N5/c1-6-2-3-7(4-8(6)9)13-5-10-11-12-13/h2-5H,9H2,1H3 |
InChI Key: | NEYJGZGFZZOFEQ-UHFFFAOYSA-N |
Boiling Point: | 386.4 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD02933014 |
LogP: | 1.13410 |
Complexity: | 174 |
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: | 0.8 |
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