Benzeneacetonitrile, 4-amino-


Chemical Name: Benzeneacetonitrile, 4-amino-
CAS Number: 3544-25-0
Product Number: AG003KR2(AGN-PC-0JLQES)
Synonyms:
MDL No:
Molecular Formula: C8H8N2
Molecular Weight: 132.1625

Identification/Properties


Properties
MP:
45-48 °C(lit.)
BP:
312°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6231 (estimate)
Computed Properties
Molecular Weight:
132.166g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
132.069g/mol
Monoisotopic Mass:
132.069g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
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:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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