Cas no 518038-34-1 (Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI))
![Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/518500/518038-34-1x500.png)
518038-34-1 structure
Product Name:Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:518038-34-1
MF:C9H17NO3
MW:187.236182928085
CID:935877
PubChem ID:11735602
Update Time:2025-04-19
Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI)
- (2-methyl-3-oxo-propyl)-carbamic acid tert-butyl ester
- 518038-34-1
- tert-Butyl (R)-(2-methyl-3-oxopropyl)carbamate
- Carbamic acid,[(2R)-2-methyl-3-oxopropyl]-,1,1-dimethylethyl ester(9ci)
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- Inchi： 1S/C9H17NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m1/s1
- InChI Key： HTBNREYQOZPEQT-SSDOTTSWSA-N
- SMILES： O(C(NC[C@H](C=O)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 187.12084340g/mol
- Monoisotopic Mass: 187.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 55.4?2
Carbamic acid, [(2R)-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI) Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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