N-{(Z)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-1-Dodecanamine

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Properties Simple | Detailed

Formula C22H35N3O
IUPAC Name n-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]dodecan-1-amine
Molecular Mass 357.533 g·mol−1
Heat of Formation -34.0 ± 16.7 kJ·mol−1
Dipole Moment 9.54 ± 1.08 D
Volume 495.37 Å 3
Surface Area 387.98 Å 2
HOMO Energy -7.35 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-n-((3-methoxy-5-(1h-pyrrol-2-yl)-2h-pyrrol-2-ylidene)methyl)-1-dodecanamine
  • 1-dodecanamine, n-((3-methoxy-5-(1h-pyrrol-2-yl)-2h-pyrrol-2-ylidene)methyl)-, (z)-
  • be 18591
  • be-18591
  • n-[(z)-[(5z)-3-methoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]dodecan-1-amine
  • n-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]dodecan-1-amine
CAS Number(s)
  • 147138-01-0
InChIKey COJSAWCEMIOIHH-RBUFKYLESA-N
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