Metabutoxycaine

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Properties Simple | Detailed

Formula C17H28N2O3
IUPAC Name 2-(diethylamino)ethyl 3-amino-2-butoxy-benzoate
Molecular Mass 308.416 g·mol−1
Heat of Formation -553.0 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 407.91 Å 3
Surface Area 336.26 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-diethylaminoethyl 3-amino-2-butoxybenzoate
  • 2-butoxy-3-aminobenzoic acid beta-diethylaminoethyl ester
  • 2-diethylaminoethyl 3-amino-2-butoxy-benzoate
  • 2-diethylaminoethyl 3-amino-2-butoxybenzoate
  • 3-amino-2-butoxy-benzoic acid 2-diethylaminoethyl ester
  • 3-amino-2-butoxybenzoic acid 2-diethylaminoethyl ester
  • benzoic acid, 3-amino-2-butoxy-, 2-(diethylamino)ethyl ester
  • beta-diethylaminoethyl 2-butoxy-3-aminobenzoate
CAS Number(s)
  • 3624-87-1
InChIKey LJQWYEFHNLTPBZ-UHFFFAOYSA-N
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