(Z)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid
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(Z)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid
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CAS No:
4796-01-4
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Formula:
C12H13NO3
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Chemical Name:
(Z)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid
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Synonyms:
(Z)-4-oxo-4-(phenethylamino)but-2-enoic acid;4796-01-4;(Z)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid;N-phenylethylmaleamic acid;N-Phenethylmaleamidic acid;N-phenylethyl maleamic acid;N-2-phenylethylmaleamic acid;CHEMBL430235;SCHEMBL6891812;108088-05-7;AR2960;MFCD00020483;STK415604;AKOS003591204;ZINC100450004;AS-45488;ST50169282;SR-01000010470;SR-01000010470-1;(2Z)-3-[N-(2-phenylethyl)carbamoyl]prop-2-enoic acid;(2Z)-4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid;F1107-0023
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CAS No:
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+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:219.24
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:66.4
Heavy Atom Count:16
Complexity:267
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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