5-Ethyl-1-(methylethyl)pyrazole - CAS 1007489-53-3
Catalog: |
BB052964 |
Product Name: |
5-Ethyl-1-(methylethyl)pyrazole |
CAS: |
1007489-53-3 |
Synonyms: |
5-ethyl-1-isopropyl-1H-pyrazole; 5-ethyl-1-(propan-2-yl)-1H-pyrazole |
IUPAC Name: | 5-ethyl-1-propan-2-ylpyrazole |
Molecular Weight: | 138.21 |
Molecular Formula: | C8H14N2 |
Canonical SMILES: | CCC1=CC=NN1C(C)C |
InChI: | InChI=1S/C8H14N2/c1-4-8-5-6-9-10(8)7(2)3/h5-7H,4H2,1-3H3 |
InChI Key: | FFRURPBNKDRDMQ-UHFFFAOYSA-N |
Boiling Point: | 194.7±9.0 °C at 760 mmHg |
Density: | 0.9±0.1 g/cm3 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.115698455 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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