1,2,5-Oxadiazole-3-carbonitrile, 4-amino-


Chemical Name: 1,2,5-Oxadiazole-3-carbonitrile, 4-amino-
CAS Number: 156463-85-3
Product Number: AG001OQD(AGN-PC-0K2MJA)
Synonyms:
MDL No:
Molecular Formula: C3H2N4O
Molecular Weight: 110.0742

Identification/Properties


Computed Properties
Molecular Weight:
110.076g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
110.023g/mol
Monoisotopic Mass:
110.023g/mol
Topological Polar Surface Area:
88.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
127
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-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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