1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, methyl ester


Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, methyl ester
CAS Number: 3641-14-3
Product Number: AG003RWW(AGN-PC-0O9CH3)
Synonyms:
MDL No:
Molecular Formula: C4H6N4O2
Molecular Weight: 142.1160

Identification/Properties


Properties
MP:
218-222 °C(lit.)
BP:
379°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
142.118g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
142.049g/mol
Monoisotopic Mass:
142.049g/mol
Topological Polar Surface Area:
93.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
139
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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