2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester
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![2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/504908af9d624ef18d91f3cb103653b5.png "2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester")
2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester
structure -
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CAS No:
268557-49-9
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Formula:
C25H37NO6
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Chemical Name:
2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester
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Synonyms:
2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester;Fingolimod Impurity 5;Propanedioic acid, (acetylamino)[2-(4-octylphenyl)-2-oxoethyl]-, diethylester;Diethyl 2-Acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl]malonate
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CAS No:
2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester Basic Attributes
447.56438
447.262
Safety Information
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:447.6
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:447.26208790
Monoisotopic Mass:447.26208790
Topological Polar Surface Area:98.8
Heavy Atom Count:32
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(Acetylamino)-2-[2-(4-octylphenyl)-2-oxoethyl]-propanedioic acid 1,3-diethyl ester
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