Cas no 178602-41-0 (Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)-)
![Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)- structure](https://ossimg.kuujia.com/scimg/179000/178602-41-0x500.png)
178602-41-0 structure
Product Name:Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)-
CAS No:178602-41-0
MF:C13H25NO4
MW:259.341904401779
CID:1372468
Update Time:2024-08-16
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)-
- Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2S)-
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- Inchi： 1S/C13H25NO4/c1-8-9(10(15)17-12(2,3)4)14-11(16)18-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)/t9-/m0/s1
- InChI Key： IFAMHYOZYZRXQD-VIFPVBQESA-N
- SMILES： C(OC(C)(C)C)(=O)[C@@H](NC(OC(C)(C)C)=O)CC
Computed Properties
- Exact Mass: 259.17845
Experimental Properties
- Density: 0.999±0.06 g/cm3(Predicted)
- Boiling Point: 333.6±25.0 °C(Predicted)
- PSA: 64.63
- pka: 11.21±0.46(Predicted)
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)- 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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
178602-41-0 (Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (S)-) Related Products
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