2-(3,4-Dimethoxyphenyl)-N-((1-methyl-1H-pyrazol-4-yl)methyl)ethanamine - CAS 1006340-53-9
Catalog: |
BB046400 |
Product Name: |
2-(3,4-Dimethoxyphenyl)-N-((1-methyl-1H-pyrazol-4-yl)methyl)ethanamine |
CAS: |
1006340-53-9 |
Synonyms: |
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine |
Description: | 2-(3,4-Dimethoxyphenyl)-N-((1-methyl-1H-pyrazol-4-yl)methyl)ethanamine (CAS# 1006340-53-9 ) is a useful research chemical. |
Molecular Weight: | 275.35 |
Molecular Formula: | C15H21N3O2 |
Canonical SMILES: | CN1C=C(C=N1)CNCCC2=CC(=C(C=C2)OC)OC |
InChI: | InChI=1S/C15H21N3O2/c1-18-11-13(10-17-18)9-16-7-6-12-4-5-14(19-2)15(8-12)20-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3 |
InChI Key: | VERBIGHHZHOEEN-UHFFFAOYSA-N |
Boiling Point: | 418.6±40.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.16337692 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.16337692 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 48.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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