Cas no 48190-36-9 (1,1'-Methylenebis(4-isocyanato-3-methylcyclohexane))
48190-36-9 structure
Product Name:1,1'-Methylenebis(4-isocyanato-3-methylcyclohexane)
CAS No:48190-36-9
MF:C17H26N2O2
MW:290.400544643402
CID:2696198
PubChem ID:21585051
Update Time:2025-04-21
1,1'-Methylenebis(4-isocyanato-3-methylcyclohexane) Chemical and Physical Properties
Names and Identifiers
-
- 1-isocyanato-4-[(4-isocyanato-3-methylcyclohexyl)methyl]-2-methylcyclohexane
- 48190-36-9
- SCHEMBL130892
- 1,1'-Methylenebis(4-isocyanato-3-methylcyclohexane)
- DTXSID90616134
-
- Inchi： 1S/C17H26N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h12-17H,3-9H2,1-2H3
- InChI Key： VLNDSAWYJSNKOU-UHFFFAOYSA-N
- SMILES： O=C=NC1CCC(CC1C)CC1CCC(C(C)C1)N=C=O
Computed Properties
- Exact Mass: 290.199428076Da
- Monoisotopic Mass: 290.199428076Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 58.9?2
1,1'-Methylenebis(4-isocyanato-3-methylcyclohexane) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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