Cas no 872850-48-1 (1-Piperidinecarboxylic acid, 4-isocyanato-4-methyl-, 1,1-dimethylethylester)
872850-48-1 structure
Product Name:1-Piperidinecarboxylic acid, 4-isocyanato-4-methyl-, 1,1-dimethylethylester
CAS No:872850-48-1
MF:C12H20N2O3
MW:240.298803329468
CID:1882047
PubChem ID:72213767
Update Time:2025-04-21
1-Piperidinecarboxylic acid, 4-isocyanato-4-methyl-, 1,1-dimethylethylester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarboxylic acid, 4-isocyanato-4-methyl-, 1,1-dimethylethylester
- tert-butyl 4-isocyanato-4-methylpiperidine-1-carboxylate
- SCHEMBL3334222
- TVAXVBPMYVLYKH-UHFFFAOYSA-N
- DB-299225
- AB74265
- 872850-48-1
-
- Inchi： 1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(4,6-8-14)13-9-15/h5-8H2,1-4H3
- InChI Key： TVAXVBPMYVLYKH-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCC(C)(CC1)N=C=O)=O
Computed Properties
- Exact Mass: 240.14739250Da
- Monoisotopic Mass: 240.14739250Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 59?2
1-Piperidinecarboxylic acid, 4-isocyanato-4-methyl-, 1,1-dimethylethylester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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