Pentane, 2-isocyanato-2,4,4-trimethyl-


Chemical Name: Pentane, 2-isocyanato-2,4,4-trimethyl-
CAS Number: 1611-57-0
Product Number: AG001S5R(AGN-PC-0JQRXB)
Synonyms:
MDL No:
Molecular Formula: C9H17NO
Molecular Weight: 155.2374

Identification/Properties


Computed Properties
Molecular Weight:
155.241g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
155.131g/mol
Monoisotopic Mass:
155.131g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
171
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


Request for Quotation


Customer Feedback