1H-Pyrrole-2-carbonitrile, 1-amino-


Chemical Name: 1H-Pyrrole-2-carbonitrile, 1-amino-
CAS Number: 159326-66-6
Product Number: AG007DN9(AGN-PC-0MWUOG)
Synonyms:
MDL No:
Molecular Formula: C5H5N3
Molecular Weight: 107.1133

Identification/Properties


Computed Properties
Molecular Weight:
107.116g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
107.048g/mol
Monoisotopic Mass:
107.048g/mol
Topological Polar Surface Area:
54.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
123
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#:
3259
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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