Home Other Building Blocks Cyclohexyl isocyanate

Cyclohexyl isocyanate

CAS No.:
3173-53-3
Catalog Number:
AG00351T
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG00351T
Chemical Name:
Cyclohexyl isocyanate
CAS Number:
3173-53-3
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD00003840
IUPAC Name:
isocyanatocyclohexane
InChI:
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key:
KQWGXHWJMSMDJJ-UHFFFAOYSA-N
SMILES:
O=C=NC1CCCCC1
EC Number:
221-639-3
UNII:
T699595BLW
NSC Number:
87419
RTECS Number:
NQ8650000
UN Number:
2488
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Thermal degradation of amorphous glibenclamide. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20120101
trans-5-(4-Chloro-phen-yl)-N-cyclo-hexyl-4-methyl-2-oxo-1,3-thia-zolidine-3-carboxamide. Acta crystallographica. Section E, Structure reports online 20080601
Synthesis of HMDI-based segmented polyurethanes and their use in the manufacture of elastomeric composites for cardiovascular applications. Journal of biomaterials science. Polymer edition 20070101
Synthesis, structure, and reactivity of a stabilized calcium carbene: R(2)CCa. Journal of the American Chemical Society 20061115
Carbamoylating chemoresistance induced by cobalt pretreatment in C6 glioma cells: putative roles of hypoxia-inducible factor-1. British journal of pharmacology 20040301
Immunologic cross-reactivity between different albumin-bound isocyanates. The Journal of allergy and clinical immunology 19830201
Use of hexyl isocyanate antigen to detect antibodies to hexamethylene diisocyanate (HDI) in sensitized guinea pigs and in a sensitized worker. Fundamental and applied toxicology : official journal of the Society of Toxicology 19820101
Properties