4-[Allyl(Nitroso)Amino]Butanoic Acid

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Properties Simple | Detailed

Formula C7H12N2O3
IUPAC Name 4-[allyl(nitroso)amino]butanoic acid
Molecular Mass 172.182 g·mol−1
Heat of Formation -341.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 217.27 Å 3
Surface Area 211.77 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 3.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-carboxypropyl(2-propenyl)nitrosamine
  • 3-carboxypropyl-(2-propenyl)nitrosamine
  • 4-(allyl-nitroso-amino)butanoic acid
  • 4-(allyl-nitroso-amino)butyric acid
  • 4-(allyl-nitrosoamino)butanoic acid
  • 4-(allylnitrosoamino)butric acid
  • 4-(nitroso-prop-2-enyl-amino)butanoic acid
  • 4-(nitroso-prop-2-enylamino)butanoic acid
  • butanoic acid, 4-(nitroso-2-propenylamino)-
  • butyric acid, 4-(allylnitrosoamino)-
  • cppn
  • es5820000
CAS Number(s)
  • 86261-23-6
InChIKey PICOTJKHYPEGGN-UHFFFAOYSA-N
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