Cas no 63061-57-4 (1-tert-Butyl 8-methyl (2S)-2-aminooctanedioate)
63061-57-4 structure
Product Name:1-tert-Butyl 8-methyl (2S)-2-aminooctanedioate
CAS No:63061-57-4
MF:C13H25NO4
MW:259.341904401779
CID:2843805
PubChem ID:71373441
Update Time:2025-04-21
1-tert-Butyl 8-methyl (2S)-2-aminooctanedioate Chemical and Physical Properties
Names and Identifiers
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- DTXSID90796263
- 63061-57-4
- 1-tert-Butyl 8-methyl (2S)-2-aminooctanedioate
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- Inchi： 1S/C13H25NO4/c1-13(2,3)18-12(16)10(14)8-6-5-7-9-11(15)17-4/h10H,5-9,14H2,1-4H3/t10-/m0/s1
- InChI Key： ASWFCHDSPIXCOV-JTQLQIEISA-N
- SMILES： O(C([C@H](CCCCCC(=O)OC)N)=O)C(C)(C)C
Computed Properties
- Exact Mass: 259.17835828Da
- Monoisotopic Mass: 259.17835828Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 271
- 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: 1.7
- Topological Polar Surface Area: 78.6?2
1-tert-Butyl 8-methyl (2S)-2-aminooctanedioate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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