Cas no 682812-15-3 (tert-butyl N-[(E)-pent-2-enoyl]carbamate)
![tert-butyl N-[(E)-pent-2-enoyl]carbamate structure](https://ossimg.kuujia.com/scimg/683000/682812-15-3x500.png)
682812-15-3 structure
Product Name:tert-butyl N-[(E)-pent-2-enoyl]carbamate
CAS No:682812-15-3
MF:C10H17NO3
MW:199.246883153915
CID:878516
PubChem ID:45091908
Update Time:2025-04-19
tert-butyl N-[(E)-pent-2-enoyl]carbamate Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [(2E)-1-oxo-2-pentenyl]-, 1,1-dimethylethyl ester (9CI)
- 682812-15-3
- Carbamic acid,[(2E)-1-oxo-2-pentenyl]-,1,1-dimethylethyl ester(9ci)
- tert-butyl N-[(E)-pent-2-enoyl]carbamate
-
- Inchi： 1S/C10H17NO3/c1-5-6-7-8(12)11-9(13)14-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,12,13)/b7-6+
- InChI Key： RNDBXZJKFIPYAI-VOTSOKGWSA-N
- SMILES： O(C(NC(/C=C/CC)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 199.121
- Monoisotopic Mass: 199.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.4A^2
- XLogP3: 2
tert-butyl N-[(E)-pent-2-enoyl]carbamate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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