Cas no 1116-09-2 (L-Aspartic acid,N-(1-oxobutyl)-)
1116-09-2 structure
Product Name:L-Aspartic acid,N-(1-oxobutyl)-
CAS No:1116-09-2
MF:C8H13NO5
MW:203.192522764206
CID:196421
PubChem ID:121355
Update Time:2025-04-19
L-Aspartic acid,N-(1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid,N-(1-oxobutyl)-
- Aspartic acid, N-butyryl-, L- (8CI)
- Asparticacid, N-butyryl- (7CI)
- N-(1-Oxobutyl)-DL-aspartic acid
- DL-Aspartic acid, N-(1-oxobutyl)-
- DTXSID00912235
- AKOS020220772
- N-Butyryl-DL-aspartic acid
- N-(1-Oxobutyl)-L-aspartic acid
- 1116-09-2
- 130056-59-6
- SCHEMBL12426671
- N-(1-Hydroxybutylidene)aspartic acid
- BRN 4311125
- L-Aspartic acid, N-(1-oxobutyl)-
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- Inchi： 1S/C8H13NO5/c1-2-3-6(10)9-5(8(13)14)4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1
- InChI Key： AKENSLPCKUWJFX-YFKPBYRVSA-N
- SMILES： O=C(CCC)N[C@H](C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 203.07939
- Monoisotopic Mass: 203.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 238
- 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: -0.5
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.301
- Boiling Point: 427.3°Cat760mmHg
- Flash Point: 212.2°C
- Refractive Index: 1.498
- PSA: 103.7
L-Aspartic acid,N-(1-oxobutyl)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
1116-09-2 (L-Aspartic acid,N-(1-oxobutyl)-) Related Products
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