Carbamic acid, (imino-1H-pyrazol-1-ylmethyl)-, phenylmethyl ester


Chemical Name: Carbamic acid, (imino-1H-pyrazol-1-ylmethyl)-, phenylmethyl ester
CAS Number: 152120-62-2
Product Number: AG003SSF(AGN-PC-0O4BWX)
Synonyms:
MDL No: MFCD00274657
Molecular Formula: C12H12N4O2
Molecular Weight: 244.2493

Identification/Properties


Properties
MP:
108-112°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.254g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
244.096g/mol
Monoisotopic Mass:
244.096g/mol
Topological Polar Surface Area:
82.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
313
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Benzyl (imino(1H-pyrazol-1-yl)methyl)carbamate is a versatile compound widely utilized in chemical synthesis as a valuable building block for the production of various molecules. This compound serves as a key intermediate in the creation of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure allows for the introduction of specific functional groups, enabling the synthesis of diverse and complex organic molecules. In particular, Benzyl (imino(1H-pyrazol-1-yl)methyl)carbamate finds application in the development of bioactive compounds and materials with tailored properties. Its use in chemical synthesis opens up opportunities for the creation of novel substances with potential applications in medicinal chemistry, materials science, and other interdisciplinary fields.