2-Butenenitrile, 3-amino-


Chemical Name: 2-Butenenitrile, 3-amino-
CAS Number: 1118-61-2
Product Number: AG003IXG(AGN-PC-0D5Y9P)
Synonyms:
MDL No:
Molecular Formula: C4H6N2
Molecular Weight: 82.1038

Identification/Properties


Properties
MP:
79-81 °C
BP:
276.3 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.4449 (estimate)
Solubility:
95% ethanol: soluble25mg/mL, clear, colorless to yellow
Computed Properties
Molecular Weight:
82.106g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
82.053g/mol
Monoisotopic Mass:
82.053g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
104
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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