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122-98-5 | Ethanol, 2-(phenylamino)-
CAS No: 122-98-5 Catalog No: AG0016JM MDL No:MFCD00002832
Product Description
Catalog Number:
AG0016JM
Chemical Name:
Ethanol, 2-(phenylamino)-
CAS Number:
122-98-5
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00002832
IUPAC Name:
2-anilinoethanol
InChI:
InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChI Key:
MWGATWIBSKHFMR-UHFFFAOYSA-N
SMILES:
OCCNc1ccccc1
EC Number:
204-588-1
UNII:
630DL2N96B
NSC Number:
8393
Properties
Complexity:
79.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
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|---|---|
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| Enantioseparation of phenylglycinol in chiral-modified zeolite HY: a molecular simulation study. | Chirality 20070601 |
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| Dynamic kinetic resolution and desymmetrization processes: a straightforward methodology for the enantioselective synthesis of piperidines. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061016 |
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| Practical enantioselective synthesis of beta-substituted-beta-amino esters. | The Journal of organic chemistry 20050708 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids. | The Journal of organic chemistry 20041210 |
| Chiral bis(amino alcohol)oxalamide gelators-gelation properties and supramolecular organization: racemate versus pure enantiomer gelation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20031121 |
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| Unprecedented oxidation of a phenylglycinol-derived 2-pyridone: enantioselective synthesis of polyhydroxypiperidines. | Organic letters 20011018 |
| [Isolation and fermentation conditions of strains producing 1-phenyl-2-amino-ethanol alcohol dehydrogenase]. | Wei sheng wu xue bao = Acta microbiologica Sinica 20011001 |
| [Studies on asymmetric synthesis of R-phenylethanolamine by whole cells of Arachnia sp. P163]. | Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20010701 |
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