Cas no 52395-93-4 (Bicyclo[2.2.2]octane, 2-isocyanato-)
![Bicyclo[2.2.2]octane, 2-isocyanato- structure](https://ossimg.kuujia.com/scimg/52500/52395-93-4x500.png)
52395-93-4 structure
Product Name:Bicyclo[2.2.2]octane, 2-isocyanato-
CAS No:52395-93-4
MF:C9H13NO
MW:151.205622434616
CID:359732
PubChem ID:71365656
Update Time:2025-04-19
Bicyclo[2.2.2]octane, 2-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane, 2-isocyanato-
- 3-isocyanatobicyclo[2.2.2]octane
- 52395-93-4
- 2-Isocyanatobicyclo[2.2.2]octane
- DTXSID90789054
-
- Inchi： 1S/C9H13NO/c11-6-10-9-5-7-1-3-8(9)4-2-7/h7-9H,1-5H2
- InChI Key： MLANGKNUMZYBFW-UHFFFAOYSA-N
- SMILES： O=C=NC1CC2CCC1CC2
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Bicyclo[2.2.2]octane, 2-isocyanato- Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
52395-93-4 (Bicyclo[2.2.2]octane, 2-isocyanato-) Related Products
- 32175-00-1(trans-4-Methycyclohexyl Isocyanate)
- 38258-74-1(1-isocyanato-4-methylcyclohexane)
- 4411-25-0(1-isocyanatoadamantane)
- 28679-16-5(Trimethylhexamethylene Diisocyanate(2,2,4-and2,4,4-mixture))
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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