Pentane, 2-isocyano-2,4,4-trimethyl-


Chemical Name: Pentane, 2-isocyano-2,4,4-trimethyl-
CAS Number: 14542-93-9
Product Number: AG001D0X(AGN-PC-0JKIZY)
Synonyms:
MDL No:
Molecular Formula: C9H17N
Molecular Weight: 139.2380

Identification/Properties


Properties
BP:
183°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Refractive Index:
n20/D 1.422(lit.)
Computed Properties
Molecular Weight:
139.242g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
139.136g/mol
Monoisotopic Mass:
139.136g/mol
Topological Polar Surface Area:
4.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
151
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


NMR Spectrum


Other Analytical Data


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