Cas no 144019-19-2 (Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester)
144019-19-2 structure
Product Name:Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester
CAS No:144019-19-2
MF:C9H17NO2
MW:171.23678278923
CID:108571
PubChem ID:11819466
Update Time:2025-04-18
Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester
- Tert-butyl N-[(E)-but-2-enyl]carbamate
- 131971-66-9
- Carbamic acid, 2-butenyl-, 1,1-dimethylethyl ester, (E)- (9CI)
- (E)-tert-butyl but-2-en-1-ylcarbamate
- SCHEMBL7722431
- 144019-19-2
- SCHEMBL14701547
- YQEOMPQSOWBOME-AATRIKPKSA-N
- Carbamic acid, 2-butenyl-, 1,1-dimethylethyl ester (9CI)
-
- Inchi： 1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
- InChI Key： YQEOMPQSOWBOME-AATRIKPKSA-N
- SMILES： O(C(NC/C=C/C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 171.125928785g/mol
- Monoisotopic Mass: 171.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 168
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 38.3?2
Carbamic acid,N-(2E)-2-buten-1-yl-, 1,1-dimethylethyl ester Related Literature
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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