Cas no 156769-81-2 (Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI))
![Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/157000/156769-81-2x500.png)
156769-81-2 structure
Product Name:Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:156769-81-2
MF:C10H19NO2
MW:185.26336312294
CID:107587
PubChem ID:11819749
Update Time:2025-04-18
Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI)
- tert-butyl N-[(E)-1-methylbut-2-enyl]carbamate
- Carbamic acid, (1-methyl-2-butenyl)-, 1,1-dimethylethyl ester, (E)- (9CI)
- 156769-81-2
- Tert-butyl N-[(E)-pent-3-en-2-yl]carbamate
-
- Inchi： 1S/C10H19NO2/c1-6-7-8(2)11-9(12)13-10(3,4)5/h6-8H,1-5H3,(H,11,12)/b7-6+
- InChI Key： VYBCRIWHFRNYAQ-VOTSOKGWSA-N
- SMILES： O(C(NC(/C=C/C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 185.14167
- Monoisotopic Mass: 185.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbamic acid,[(2E)-1-methyl-2-butenyl]-, 1,1-dimethylethyl ester (9CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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