(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid
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![(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/54b958ad68f44039aea34196c1181552.png "(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid")
(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid
structure -
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CAS No:
63422-71-9
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Formula:
C15H17N3O5
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Chemical Name:
(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid
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Synonyms:
Benzeneacetic acid,α-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-,(αR)-;Benzeneacetic acid,α-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-,(R)-;(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid;(R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acid;(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid;115670-88-7
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CAS No:
(αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid Basic Attributes
319.31300
319.31
264-133-8
YG582EF7NG
DTXSID50212838
2933599090
Characteristics
107.02000
0.47930
almost white crystalline powder
1.377 g/cm3
171ºC (dec.)(lit.)
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
3
R36/37/38
26-36-37/39
Xi
|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:319.31
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:319.11682065
Monoisotopic Mass:319.11682065
Topological Polar Surface Area:107
Heavy Atom Count:23
Complexity:501
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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