4-(1,4,8,11-Tetraazacyclotetradec-1-Yl)Methylbenzoic Acid

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Properties Simple | Detailed

Formula C18H30N4O2
IUPAC Name 4-[[(1s)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzoic acid
Molecular Mass 334.456 g·mol−1
Heat of Formation -293.0 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 433.24 Å 3
Surface Area 329.9 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((1,4,8,11-tetraazacyclotetradec-1-yl)methyl)benzoic acid
  • 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
  • benzoic acid, 4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)-
  • ctpa
CAS Number(s)
  • 107265-48-5
InChIKey GMOGICAFJFPMNS-UHFFFAOYSA-N
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