Benzeneacetonitrile, 2,5-dimethyl-


Chemical Name: Benzeneacetonitrile, 2,5-dimethyl-
CAS Number: 16213-85-7
Product Number: AG001SSJ(AGN-PC-0JKJMZ)
Synonyms:
MDL No:
Molecular Formula: C10H11N
Molecular Weight: 145.2010

Identification/Properties


Properties
MP:
27-29 °C
BP:
256.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.5000 (estimate)
Computed Properties
Molecular Weight:
145.205g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
145.089g/mol
Monoisotopic Mass:
145.089g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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


NMR Spectrum


Other Analytical Data


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