N-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]-β-Alaninamide

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Properties Simple | Detailed

Formula C11H14N2O3
IUPAC Name 3-amino-n-[(e)-2-(3,4-dihydroxyphenyl)vinyl]propanamide
Molecular Mass 222.240 g·mol−1
Heat of Formation -423.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 266.98 Å 3
Surface Area 264.43 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dehydro-n-beta-alanyldopamine
  • 1,2-dehydro-nbad
  • 3-amino-n-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
  • 3-amino-n-[(e)-2-(3,4-dihydroxyphenyl)vinyl]propanamide
  • 3-amino-n-[(e)-2-(3,4-dihydroxyphenyl)vinyl]propionamide
CAS Number(s)
  • 158018-58-7
InChIKey CQXKYWLWCMCZHC-GQCTYLIASA-N
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