Cas no 93839-03-3 ((2s)-2-acetamido-3-methylbutanoic Acid;2-(dimethylamino)ethanol)
93839-03-3 structure
Product Name:(2s)-2-acetamido-3-methylbutanoic Acid;2-(dimethylamino)ethanol
CAS No:93839-03-3
MF:C11H24N2O4
MW:248.319263458252
CID:1983344
Update Time:2022-07-26
(2s)-2-acetamido-3-methylbutanoic Acid;2-(dimethylamino)ethanol Chemical and Physical Properties
Names and Identifiers
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- N-Acetyl-L-valine, compound with 2-(dimethylamino)ethanol (1:1)
- (2S)-2-acetamido-3-methyl-butanoic acid
- 2-dimethylaminoethanol
- (2S)-2-acetamido-3-methylbutanoic acid,2-(dimethylamino)ethanol
- (2S)-2-acetamido-3-methylbutanoic acid
- 2-(dimethylamino)ethanol
- (2s)-2-acetamido-3-methylbutanoic Acid;2-(dimethylamino)ethanol
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- Inchi： 1S/C7H13NO3.C4H11NO/c1-4(2)6(7(10)11)8-5(3)9;1-5(2)3-4-6/h4,6H,1-3H3,(H,8,9)(H,10,11);6H,3-4H2,1-2H3/t6-;/m0./s1
- InChI Key： HPGDEHCKFBUQFW-RGMNGODLSA-N
- SMILES： O([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])([H])[H])=O)=O.O([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
Computed Properties
- Exact Mass: 248.174
- Monoisotopic Mass: 248.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 194
- 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: 89.9A^2
Experimental Properties
- Boiling Point: 458.5°C at 760 mmHg
- Flash Point: 231.1°C
(2s)-2-acetamido-3-methylbutanoic Acid;2-(dimethylamino)ethanol Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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