2-[(2-Amino-4-Nitrophenyl)Amino]-2-(Hydroxymethyl)-1,3-Propanediol

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Properties Simple | Detailed

Formula C10H15N3O5
IUPAC Name 2-(2-amino-4-nitro-anilino)-2-(hydroxymethyl)propane-1,3-diol
Molecular Mass 257.243 g·mol−1
Heat of Formation -491.2 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 290.02 Å 3
Surface Area 255.96 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2-((2-amino-4-nitrophenyl)amino)-2-(hydroxymethyl)-
  • 2-((2-amino-4-nitrophenyl)amino)-2-(hydroxymethyl)propane-1,3-diol
  • 2-[(2-amino-4-nitro-phenyl)amino]-2-(hydroxymethyl)propane-1,3-diol
  • 2-[(2-amino-4-nitro-phenyl)amino]-2-methylol-propane-1,3-diol
  • 2-[(2-amino-4-nitrophenyl)amino]-2-(hydroxymethyl)propane-1,3-diol
  • hc yellow no. 3
  • n1-(tris(hydroxymethyl))methyl-4-nitro-1,2-phenylenediamine
CAS Number(s)
  • 56932-45-7
InChIKey PQJDXVDLMFCBQD-UHFFFAOYSA-N
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