1-(4-Chlorophenyl)-2-Methyl-2-Propanyl L-Valinate

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Properties Simple | Detailed

Formula C15H22ClNO2
IUPAC Name [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] (2s)-2-amino-3-methyl-butanoate
Molecular Mass 283.794 g·mol−1
Heat of Formation -471.3 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 358.95 Å 3
Surface Area 308.59 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-butyric acid [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] ester
  • (2s)-2-amino-3-methylbutanoic acid [2-(4-chlorophenyl)-1,1-dimethylethyl] ester
  • 2-(4-chlorophenyl)-1,1-dimethylethyl 2-amino-3-methylbutanoate
  • [1-(4-chlorophenyl)-2-methyl-propan-2-yl] (2s)-2-amino-3-methyl-butanoate
  • [1-(4-chlorophenyl)-2-methylpropan-2-yl] (2s)-2-amino-3-methylbutanoate
  • [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] (2s)-2-amino-3-methyl-butanoate
  • gea 857
  • gea-857
  • l-valine, 2-(4-chlorophenyl)-1,1-dimethylethyl ester
  • valine, 2-(4-chlorophenyl)-1,1-dimethylethyl ester
CAS Number(s)
  • 120493-42-7
InChIKey YKRSWMGPYKJOBF-ZDUSSCGKSA-N
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