Cas no 581785-29-7 (HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-)
581785-29-7 structure
Product Name:HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-
CAS No:581785-29-7
MF:C14H27NO4
MW:273.368484735489
CID:3445105
PubChem ID:92135154
Update Time:2025-04-21
HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)- Chemical and Physical Properties
Names and Identifiers
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- HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-
- Hexanedioic acid, 2-amino-, 1,6-bis(1,1-dimethylethyl) ester, (2S)-
- SCHEMBL23416460
- H20305
- 581785-29-7
- Di-tert-butyl (S)-2-aminohexanedioate
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- Inchi: 1S/C14H27NO4/c1-13(2,3)18-11(16)9-7-8-10(15)12(17)19-14(4,5)6/h10H,7-9,15H2,1-6H3/t10-/m0/s1
- InChI Key: GADCOXFZALWVJI-JTQLQIEISA-N
- SMILES: C(OC(C)(C)C)(=O)[C@@H](N)CCCC(OC(C)(C)C)=O
Computed Properties
- Exact Mass: 273.19400834Da
- Monoisotopic Mass: 273.19400834Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 312
- 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
HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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