Cas no 51537-18-9 (22823-50-3)
22823-50-3 structure
Product Name:22823-50-3
CAS No:51537-18-9
MF:C22H42N2O4S
MW:430.644885540009
CID:376101
Update Time:2024-01-29
22823-50-3 Chemical and Physical Properties
Names and Identifiers
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- N-cyclohexylcyclohexanamine, (2S)-4-methylsulfanyl-2-(tert-butoxycarbo nylamino)butanoic acid
- 22823-50-3
-
- Inchi： 1S/C12H23N.C10H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1
- InChI Key： SKDIPRMGDVUUQO-ZLTKDMPESA-N
- SMILES： S(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N([H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
Computed Properties
- Exact Mass: 430.287
- Monoisotopic Mass: 430.287
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 9
- Complexity: 366
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113A^2
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- Boiling Point: 415.5°Cat760mmHg
- Flash Point: 205.1°C
- PSA: 112.96000
- LogP: 5.74060
22823-50-3 Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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