4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
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![4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c15092b127e24f1682f5f7826b3e6fdb.png "4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid")
4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
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CAS No:
21752-34-1
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Formula:
C12H15NO3
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Chemical Name:
4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
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Synonyms:
Butanoic acid,4-oxo-4-[[(1S)-1-phenylethyl]amino]-;Succinamic acid,N-(α-methylbenzyl)-,(S)-;Butanoic acid,4-oxo-4-[(1-phenylethyl)amino]-,(S)-;4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid;(S)-(-)-N-(1-Phenylethyl)succinamic acid;3-[[(1S)-1-Phenylethyl]carbamoyl]propanoic acid
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CAS No:
4-Oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid Basic Attributes
221.25200
221.25
244-569-5
2924299090
Safety Information
R36/37/38
S26; S36
|Warning|H315 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:221.25
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Monoisotopic Mass:221.10519334
Topological Polar Surface Area:66.4
Heavy Atom Count:16
Complexity:247
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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