1-Benzyl-4-methyl-1H-pyrazol-3-amine - CAS 1174838-25-5
Catalog: |
BB053176 |
Product Name: |
1-Benzyl-4-methyl-1H-pyrazol-3-amine |
CAS: |
1174838-25-5 |
Synonyms: |
4-methyl-1-benzylpyrazole-3-ylamine |
IUPAC Name: | 1-benzyl-4-methylpyrazol-3-amine |
Molecular Weight: | 187.24 |
Molecular Formula: | C11H13N3 |
Canonical SMILES: | CC1=CN(N=C1N)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H13N3/c1-9-7-14(13-11(9)12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13) |
InChI Key: | DUEGSZUKVOJROP-UHFFFAOYSA-N |
Boiling Point: | 375.3±30.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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