Cas no 45158-78-9 (Methyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate)
45158-78-9 structure
Product Name:Methyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate
CAS No:45158-78-9
MF:C9H12N2O4
MW:212.202582359314
CID:2639316
PubChem ID:58152970
Update Time:2025-04-21
Methyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate Chemical and Physical Properties
Names and Identifiers
-
- 45158-78-9
- DTXSID30728866
- (S)-Methyl 2,6-diisocyanatohexanoate
- Methyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate
- DTXCID60679610
- methyl (s)-2,6-diisocyanatohexanoate
- SCHEMBL12865865
-
- Inchi： 1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3/t8-/m0/s1
- InChI Key： AYLRODJJLADBOB-QMMMGPOBSA-N
- SMILES： O(C)C([C@H](CCCCN=C=O)N=C=O)=O
Computed Properties
- Exact Mass: 212.07970687Da
- Monoisotopic Mass: 212.07970687Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 290
- 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: 3
- Topological Polar Surface Area: 85.2?2
Methyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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