Benzeneacetonitrile, a-ethyl-


Chemical Name: Benzeneacetonitrile, a-ethyl-
CAS Number: 769-68-6
Product Number: AG003HVC(AGN-PC-0UATP4)
Synonyms:
MDL No:
Molecular Formula: C10H11N
Molecular Weight: 145.2010

Identification/Properties


Properties
BP:
114-115 °C15 mm Hg(lit.)
Storage:
Room Temperature;Keep in dry area;
Refractive Index:
n20/D 1.5086(lit.)
Computed Properties
Molecular Weight:
145.205g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
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:
148
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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