Benzeneacetonitrile, 2,6-dimethyl-


Chemical Name: Benzeneacetonitrile, 2,6-dimethyl-
CAS Number: 54708-14-4
Product Number: AG003AXP(AGN-PC-0L480N)
Synonyms:
MDL No:
Molecular Formula: C10H11N
Molecular Weight: 145.2010

Identification/Properties


Properties
MP:
31-33°C
BP:
104°C 1mm
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
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:
155
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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