4-(Trimethylammonio)But-2-Enoate

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Properties Simple | Detailed

Formula C7H13NO2
IUPAC Name (e)-4-(trimethylammonio)but-2-enoate
Molecular Mass 143.184 g·mol−1
Heat of Formation -135.9 ± 16.7 kJ·mol−1
Dipole Moment 19.76 ± 1.08 D
Volume 194.75 Å 3
Surface Area 184.97 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-4-(trimethylammonio)but-2-enoate
  • (3-carboxyallyl)trimethylammonium hydroxide, inner salt
  • (3-carboxyallyl)trimethylammonium hydroxide, inner salt (6ci,7ci)
  • (e)-4-(trimethylammonio)but-2-enoate
  • (e)-4-trimethylammoniobut-2-enoate
  • (e)-4-trimethylazaniumylbut-2-enoate
  • 2-propen-1-aminium, 3-carboxy-n,n,n-trimethyl-, hydroxide, inner salt (9ci)
  • 4-trimethylammoniobut-2-enoate
  • 4-trimethylazaniumylbut-2-enoate
  • ammonium, (3-carboxyallyl)trimethyl-, hydroxide, inner salt
  • croton betaine
  • crotonic acid betaine
  • crotono-betaine
  • crotonobetaine
  • crotonsaeurebetain
CAS Number(s)
  • 927-89-9
InChIKey GUYHPGUANSLONG-SNAWJCMRSA-N
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