Benzeneacetonitrile, 2,4,6-trimethyl-


Chemical Name: Benzeneacetonitrile, 2,4,6-trimethyl-
CAS Number: 34688-71-6
Product Number: AG003FNW(AGN-PC-0JS9MC)
Synonyms:
MDL No:
Molecular Formula: C11H13N
Molecular Weight: 159.2276

Identification/Properties


Properties
MP:
76-80 °C
BP:
278.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5466 (estimate)
Computed Properties
Molecular Weight:
159.232g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
159.105g/mol
Monoisotopic Mass:
159.105g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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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