2-Methylglutaronitrile


Chemical Name: 2-Methylglutaronitrile
CAS Number: 4553-62-2
Product Number: AG003B99(AGN-PC-0WA6ZD)
Synonyms:
MDL No:
Molecular Formula: C6H8N2
Molecular Weight: 108.1411

Identification/Properties


Properties
MP:
−45℃ (lit.)
Storage:
Room Temperature;Keep in dry area;
Form:
Liquid
Computed Properties
Molecular Weight:
108.144g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
108.069g/mol
Monoisotopic Mass:
108.069g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
142
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:
Danger
UN#:
3276
Hazard Statements:
H301+H311-H330
Precautionary Statements:
P260-P280-P284-P301+P310-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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