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


Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
CAS Number: 63666-11-5
Product Number: AG0038KI(AGN-PC-0OEBU8)
Synonyms:
MDL No: MFCD00296922
Molecular Formula: C5H8N4O2
Molecular Weight: 156.1426

Identification/Properties


Computed Properties
Molecular Weight:
156.145g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
156.065g/mol
Monoisotopic Mass:
156.065g/mol
Topological Polar Surface Area:
93.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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#:
-
Hazard Statements:
H317
Precautionary Statements:
P261-P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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