Cas no 91458-04-7 (Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl-)
![Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl- structure](https://ossimg.kuujia.com/scimg/91500/91458-04-7x500.png)
91458-04-7 structure
Product Name:Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl-
CAS No:91458-04-7
MF:C16H24N2O2
MW:276.373964309692
CID:809977
PubChem ID:3021828
Update Time:2025-04-19
Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl-
- 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methylcyclohexane
- DTXSID90919713
- 91458-04-7
- 1-Isocyanato-4-((4-isocyanatocyclohexyl)methyl)-2-methylcyclohexane
- NS00064455
- SCHEMBL10507925
- EINECS 293-836-2
-
- Inchi： 1S/C16H24N2O2/c1-12-8-14(4-7-16(12)18-11-20)9-13-2-5-15(6-3-13)17-10-19/h12-16H,2-9H2,1H3
- InChI Key： GJODKDBGLQHWKX-UHFFFAOYSA-N
- SMILES： O=C=NC1CCC(CC1C)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: 371.7°Cat760mmHg
- Flash Point: 153.3°C
- Refractive Index: 1.581
Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
91458-04-7 (Cyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methyl-) Related Products
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