1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, ethyl ester
CAS Number: 6825-71-4
Product Number: AG0036LQ(AGN-PC-0L5SHH)
Synonyms:
MDL No:
Molecular Formula: C6H10N4O2
Molecular Weight: 170.1692

Identification/Properties


Properties
MP:
189-190℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.172g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
170.08g/mol
Monoisotopic Mass:
170.08g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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