Tricyclo[3.3.1.13,7]decane, 1-isocyanato-


Chemical Name: Tricyclo[3.3.1.13,7]decane, 1-isocyanato-
CAS Number: 4411-25-0
Product Number: AG003DX2(AGN-PC-0KBO89)
Synonyms:
MDL No:
Molecular Formula: C11H15NO
Molecular Weight: 177.2429

Identification/Properties


Properties
MP:
144-146 °C(lit.)
BP:
309.18°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5302 (estimate)
Computed Properties
Molecular Weight:
177.247g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
177.115g/mol
Monoisotopic Mass:
177.115g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
237
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H330-H302+H312-H315-H319-H334-H335
Precautionary Statements:
P501-P260-P270-P240-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P342+P311-P337+P313-P305+P351+P338-P303+P361+P353-P332+P313-P362-P301+P312+P330-P304+P340+P310-P403+P233-P403+P235-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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