N-[(1-Butan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine - CAS 1170468-49-1
Catalog: |
BB052785 |
Product Name: |
N-[(1-Butan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine |
CAS: |
1170468-49-1 |
Synonyms: |
N-((1-(sec-Butyl)-1H-pyrazol-4-yl)methyl)-2-(3-methoxyphenyl)ethanamine |
IUPAC Name: | N-[(1-butan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine |
Molecular Weight: | 287.4 |
Molecular Formula: | C17H25N3O |
Canonical SMILES: | CCC(C)N1C=C(C=N1)CNCCC2=CC(=CC=C2)OC |
InChI: | InChI=1S/C17H25N3O/c1-4-14(2)20-13-16(12-19-20)11-18-9-8-15-6-5-7-17(10-15)21-3/h5-7,10,12-14,18H,4,8-9,11H2,1-3H3 |
InChI Key: | IMBUPMZODJJLOF-UHFFFAOYSA-N |
Boiling Point: | 421.3±30.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.199762429 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.199762429 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 39.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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