1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-hydroxyethyl)-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-hydroxyethyl)-
CAS Number: 58046-50-7
Product Number: AG003MC9(AGN-PC-0JOYH6)
Synonyms:
MDL No: MFCD06496475
Molecular Formula: C6H9N3O3
Molecular Weight: 171.1540

Identification/Properties


Properties
MP:
145-146℃ (decomp)
BP:
461.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
171.156g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
171.064g/mol
Monoisotopic Mass:
171.064g/mol
Topological Polar Surface Area:
101A^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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