Cas no 205503-95-3 (L-Allothreonine,O-ethyl-, hydrochloride (9CI))
205503-95-3 structure
Product Name:L-Allothreonine,O-ethyl-, hydrochloride (9CI)
CAS No:205503-95-3
MF:C6H14ClNO3
MW:183.633261203766
CID:283882
Update Time:2024-01-27
L-Allothreonine,O-ethyl-, hydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
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- L-Allothreonine,O-ethyl-, hydrochloride (9CI)
- O-Ethyl-L-allothreonine
- (2S,3S)-2-AMINO-3-ETHOXYBUTANOIC ACID HYDROCHLORIDE, 80% E.E., 99+%
- (2S,3S)-2-Amino-3-ethoxybutanoic acid hydrochloride,99+%,80% ee
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- Inchi: 1S/C6H13NO3.ClH/c1-3-10-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t4-,5-;/m0./s1
- InChI Key: AQOVQTZVNTXWCJ-FHAQVOQBSA-N
- SMILES: [C@@H](N)(C(=O)O)[C@H](C)OCC.Cl
Computed Properties
- Exact Mass: 147.09
- Monoisotopic Mass: 147.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77A^2
Experimental Properties
- Color/Form: Not available
- Density: 1.106
- Boiling Point: 258°Cat760mmHg
- Flash Point: 109.8°C
- Solubility: Not available
L-Allothreonine,O-ethyl-, hydrochloride (9CI) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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