Cas no 91458-01-4 (Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl-)
![Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl- structure](https://ossimg.kuujia.com/scimg/91500/91458-01-4x500.png)
91458-01-4 structure
Product Name:Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl-
CAS No:91458-01-4
MF:C16H24N2O2
MW:276.373964309692
CID:807338
PubChem ID:3021826
Update Time:2025-04-19
Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl-
- 4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane
- EINECS 293-834-1
- SCHEMBL10508134
- NS00065774
- DTXSID10919715
- 4-Isocyanato-2-((4-isocyanatocyclohexyl)methyl)-1-methylcyclohexane
- 91458-01-4
-
- Inchi： 1S/C16H24N2O2/c1-12-2-5-16(18-11-20)9-14(12)8-13-3-6-15(7-4-13)17-10-19/h12-16H,2-9H2,1H3
- InChI Key： XSPXKFCITIIGRV-UHFFFAOYSA-N
- SMILES： O=C=NC1CCC(C)C(C1)CC1CCC(CC1)N=C=O
Computed Properties
- Exact Mass: 276.184
- Monoisotopic Mass: 276.184
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- Density: 1.16
- Boiling Point: 371.8°Cat760mmHg
- Flash Point: 153.4°C
- Refractive Index: 1.581
Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
91458-01-4 (Cyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methyl-) Related Products
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