1-Cyano-2-[(3R,4S)-6-Cyano-3-Hydroxy-2,2-Dimethyl-3,4-Dihydro-2H-Chromen-4-Yl]-3-(2-Methyl-2-Butanyl)Guanidine

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Properties Simple | Detailed

Formula C19H25N5O2
IUPAC Name 1-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(1,1-dimethylpropyl)guanidine
Molecular Mass 355.434 g·mol−1
Heat of Formation -39.5 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 454.19 Å 3
Surface Area 370.76 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-amyl-3-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine
  • 3-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-1-(1,1-dimethylpropyl)guanidine
  • 3-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-(1,1-dimethylpropyl)guanidine
  • 3-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-(2-methylbutan-2-yl)guanidine
  • 3-cyano-2-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-1-(2-methylbutan-2-yl)guanidine
  • guanidine, n-cyano-n'-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2h-1-benzopyran-4-yl)-n''-(1,1-dimethylpropyl)-,
  • trans-n-cyano-n'-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2h-1-benzopyran-4-yl)-n''-(1,1-dimethylpropyl)guanidine
  • u 89232
  • u-89232
CAS Number(s)
  • 134017-78-0
InChIKey XOYZVGFXSLYSCF-JKSUJKDBSA-N
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