5-[(2,4-Dimethylphenoxy)methyl]-1-methyl-1H-pyrazol-3-amine - CAS 1856045-70-9
Catalog: |
BB051498 |
Product Name: |
5-[(2,4-Dimethylphenoxy)methyl]-1-methyl-1H-pyrazol-3-amine |
CAS: |
1856045-70-9 |
Synonyms: |
1H-Pyrazol-3-amine, 5-[(2,4-dimethylphenoxy)methyl]-1-methyl- |
IUPAC Name: | 5-[(2,4-dimethylphenoxy)methyl]-1-methylpyrazol-3-amine |
Molecular Weight: | 231.29 |
Molecular Formula: | C13H17N3O |
Canonical SMILES: | CC1=CC(=C(C=C1)OCC2=CC(=NN2C)N)C |
InChI: | InChI=1S/C13H17N3O/c1-9-4-5-12(10(2)6-9)17-8-11-7-13(14)15-16(11)3/h4-7H,8H2,1-3H3,(H2,14,15) |
InChI Key: | ZFNVFRFQIGMWMY-UHFFFAOYSA-N |
Boiling Point: | 413.8±40.0°C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.137162174 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.137162174 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Related Functional Groups
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Oxygen Compounds
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