Cas no 63371-77-7 (Cyclohexane, 1,1'-methylenebis[2-isocyanato-)
63371-77-7 structure
Product Name:Cyclohexane, 1,1'-methylenebis[2-isocyanato-
CAS No:63371-77-7
MF:C15H22N2O2
MW:262.347383975983
CID:1651032
PubChem ID:22719335
Update Time:2025-04-21
Cyclohexane, 1,1'-methylenebis[2-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- 1-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]cyclohexane
- DTXSID60627772
- 63371-77-7
- 1,1'-Methylenebis(2-isocyanatocyclohexane)
- SCHEMBL108992
- HUXGPXHPGSIYOD-UHFFFAOYSA-N
- Cyclohexane, 1,1'-methylenebis[2-isocyanato-
-
- Inchi： 1S/C15H22N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h12-15H,1-9H2
- InChI Key： HUXGPXHPGSIYOD-UHFFFAOYSA-N
- SMILES： O=C=NC1CCCCC1CC1CCCCC1N=C=O
Computed Properties
- Exact Mass: 262.16826
- Monoisotopic Mass: 262.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 348
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.86
Cyclohexane, 1,1'-methylenebis[2-isocyanato- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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