Ectoine Zwitterion

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Properties Simple | Detailed

Formula C6H12N2O2
IUPAC Name (4s)-2-methylhexahydropyrimidin-2-ide-4-carboxylate
Molecular Mass 144.172 g·mol−1
Heat of Formation -347.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 171.26 Å 3
Surface Area 174.37 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • 1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • l-ectoine
InChIKey WQXNXVUDBPYKBA-YFKPBYRVSA-N
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