1,3-Benzenedicarbonitrile, 5-amino-


Chemical Name: 1,3-Benzenedicarbonitrile, 5-amino-
CAS Number: 57369-97-8
Product Number: AG00ELBE(AGN-PC-02JY19)
Synonyms:
MDL No:
Molecular Formula: C8H5N3
Molecular Weight: 143.1454

Identification/Properties


Computed Properties
Molecular Weight:
143.149g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
143.048g/mol
Monoisotopic Mass:
143.048g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
204
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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