4-Ethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline - CAS 1006450-01-6
Catalog: |
BB046395 |
Product Name: |
4-Ethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline |
CAS: |
1006450-01-6 |
Synonyms: |
4-Ethyl-N-((1-methyl-1H-pyrazol-3-yl)methyl)aniline; 1H-Pyrazole-3-methanamine, N-(4-ethylphenyl)-1-methyl- |
IUPAC Name: | 4-ethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline |
Description: | 4-Ethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline (CAS# 1006450-01-6 ) is a useful research chemical. |
Molecular Weight: | 215.29 |
Molecular Formula: | C13H17N3 |
Canonical SMILES: | CCC1=CC=C(C=C1)NCC2=NN(C=C2)C |
InChI: | InChI=1S/C13H17N3/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-16(2)15-13/h4-9,14H,3,10H2,1-2H3 |
InChI Key: | ZNGNZMFNLGWLBH-UHFFFAOYSA-N |
Boiling Point: | 364.2±30.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 199 |
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: | 4 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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