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Home > Encyclopedia > (E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid

(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid

(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid structure

(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid 

structure
  • CAS No:

    108088-05-7

  • Formula:

    C12H13NO3

  • Chemical Name:

    (E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid

  • Synonyms:

    n-phenethylmaleamic acid;CHEMBL152670;(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid;(2E)-4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid;NSC201502;MLS000682368;SCHEMBL4017341;SCHEMBL4017350;cid_1551727;HMS2665D12;108088-05-7;ZINC1735370;BDBM50136861;SBB043316;(E)-3-Phenethylcarbamoyl-acrylic acid;AKOS000273965;NSC-201502;(E)-3-(Phenethylcarbamoyl)propenoic acid;SMR000314729;4-Oxo-4-(phenethylamino)-2-butenoic acid;AB00075637-01;SR-01000577124;SR-01000577124-1;(2E)-3-[N-(2-phenylethyl)carbamoyl]prop-2-enoic acid

(E)-4-oxo-4-(2-phenylethylamino)but-2-enoic acid Basic Attributes

219.24 g/mol

219.08954328 g/mol

201502

Characteristics

66.4 Ų

1.377

133 - 134 °C

>32.9 [ug/mL]

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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