Benzeneethanamine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-


Chemical Name: Benzeneethanamine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number: 616879-04-0
Product Number: AG019NIN(AGN-PC-015QVS)
Synonyms:
MDL No:
Molecular Formula: C13H17N3
Molecular Weight: 215.2942

Identification/Properties


Computed Properties
Molecular Weight:
215.3g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
215.142g/mol
Monoisotopic Mass:
215.142g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
211
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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