Cas no 135540-96-4 (Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-)
135540-96-4 structure
Product Name:Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-
CAS No:135540-96-4
MF:C11H14N2O2
MW:206.241062641144
CID:1238533
PubChem ID:11206532
Update Time:2025-04-20
Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-
- 3,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane
- DTXSID70458716
- FOLVZNOYNJFEBK-UHFFFAOYSA-N
- SCHEMBL97821
- 135540-96-4
-
- Inchi: 1S/C11H14N2O2/c14-6-12-4-9-1-8-2-10(5-13-7-15)11(9)3-8/h8-11H,1-5H2
- InChI Key: FOLVZNOYNJFEBK-UHFFFAOYSA-N
- SMILES: O=C=NCC1CC2CC(CN=C=O)C1C2
Computed Properties
- Exact Mass: 206.10562
- Monoisotopic Mass: 206.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.86
Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
135540-96-4 (Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-) Related Products
- 20392-34-1(Heptane,3-(isocyanatomethyl)-)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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