Benzeneacetamide, a-cyano-a-ethyl-


Chemical Name: Benzeneacetamide, a-cyano-a-ethyl-
CAS Number: 80544-75-8
Product Number: AG005KMO(AGN-PC-0UHAIR)
Synonyms:
MDL No:
Molecular Formula: C11H12N2O
Molecular Weight: 188.2258

Identification/Properties


Properties
MP:
112-113°C
BP:
362.2°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
188.23g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
188.095g/mol
Monoisotopic Mass:
188.095g/mol
Topological Polar Surface Area:
66.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
260
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#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P305+P351+P338-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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