Cas no 57282-75-4 (L-Aspartic acid,N-(N-acetyl-L-alanyl)- (9CI))
57282-75-4 structure
Product Name:L-Aspartic acid,N-(N-acetyl-L-alanyl)- (9CI)
CAS No:57282-75-4
MF:C9H14N2O6
MW:246.217262744904
CID:385520
PubChem ID:333277
Update Time:2025-04-19
L-Aspartic acid,N-(N-acetyl-L-alanyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid,N-(N-acetyl-L-alanyl)- (9CI)
- 2-(2-acetamidopropanoylamino)butanedioic acid
- AC1L7CX9
- NSC333566
- NSC-333566
- DTXSID20318654
- 57282-75-4
- AKOS020221139
-
- Inchi： 1S/C9H14N2O6/c1-4(10-5(2)12)8(15)11-6(9(16)17)3-7(13)14/h4,6H,3H2,1-2H3,(H,10,12)(H,11,15)(H,13,14)(H,16,17)
- InChI Key： VKDFHPOXOFZCEN-UHFFFAOYSA-N
- SMILES： O=C(C(C)NC(C)=O)NC(C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 246.08522
- Monoisotopic Mass: 246.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.2
- Topological Polar Surface Area: 133?2
Experimental Properties
- Density: 1.375
- Boiling Point: 586.7°Cat760mmHg
- Flash Point: 308.6°C
- Refractive Index: 1.515
- PSA: 132.8
- LogP: -0.66310
L-Aspartic acid,N-(N-acetyl-L-alanyl)- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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