1-(2,5-Dimethylbenzyl)-4-methyl-1H-pyrazol-3-amine - CAS 1343612-33-8
Catalog: |
BB050991 |
Product Name: |
1-(2,5-Dimethylbenzyl)-4-methyl-1H-pyrazol-3-amine |
CAS: |
1343612-33-8 |
Synonyms: |
1H-Pyrazol-3-amine, 1-[(2,5-dimethylphenyl)methyl]-4-methyl- |
IUPAC Name: | 1-[(2,5-dimethylphenyl)methyl]-4-methylpyrazol-3-amine |
Molecular Weight: | 215.29 |
Molecular Formula: | C13H17N3 |
Canonical SMILES: | CC1=CC(=C(C=C1)C)CN2C=C(C(=N2)N)C |
InChI: | InChI=1S/C13H17N3/c1-9-4-5-10(2)12(6-9)8-16-7-11(3)13(14)15-16/h4-7H,8H2,1-3H3,(H2,14,15) |
InChI Key: | QCJCUWPZVRFWOC-UHFFFAOYSA-N |
Boiling Point: | 400.9±33.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.10±0.1 g/cm3 (Predicted) |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.142247555 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.142247555 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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