Cas no 738517-62-9 (D-Norvaline, 3-ethyl-,methyl ester)
738517-62-9 structure
Product Name:D-Norvaline, 3-ethyl-,methyl ester
CAS No:738517-62-9
MF:C8H17NO2
MW:159.2260825634
CID:559888
Update Time:2024-03-05
D-Norvaline, 3-ethyl-,methyl ester Chemical and Physical Properties
Names and Identifiers
-
- D-Norvaline, 3-ethyl-,methyl ester
- D-Norvaline, 3-ethyl-, methyl ester (9CI)
- D-Norvaline, 3-ethyl-, methyl ester
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- Inchi： 1S/C8H17NO2/c1-4-6(5-2)7(9)8(10)11-3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1
- InChI Key： FIIIVUQDQKWIKT-SSDOTTSWSA-N
- SMILES： C(OC)(=O)[C@@H](C(CC)CC)N
Computed Properties
- Exact Mass: 159.126
- Monoisotopic Mass: 159.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 121
- 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
- Topological Polar Surface Area: 52.3A^2
Experimental Properties
- Density: 0.944±0.06 g/cm3(Predicted)
- Boiling Point: 191.4±13.0 °C(Predicted)
- pka: 7.98±0.39(Predicted)
D-Norvaline, 3-ethyl-,methyl ester Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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