1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:05 UTC FDB012565 3-Aminopropanenitrile Constituent of chickling pea (Lathyrus sativus) beta-Aminopropionitrile is a toxic amino-acid derivative. On an unusual case of the Cantrell-sequence in a premature infant with associated dysmelia, aplasia of the right kidney, cerebellar hypoplasia and circumscribed aplasia of the cutis, maternal history suggested an occupational exposure to aminopropionitriles prior to pregnancy. The characteristic features of the Cantrell-sequence--anterior thoraco-abdominal wall defect with ectopia cordis and diaphragm, sternum, pericardium, and heart defects--have been observed in animals following maternal administration of beta-aminopropionitrile. Some species of lathyrus (chickling pea, Lathyrus sativus- related), notably Lathyrus odoratus, are unable to induce human lathyrism but contain beta-aminopropionitrile, that induces pathological changes in bone ("osteolathyrism") and blood vessels ("angiolathyrism") of experimental animals without damaging the nervous system. The administration of beta-aminopropionitrile has been proposed for pharmacological control of unwanted scar tissue in human beings. beta-Aminopropionitrile is a reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid. (PMID: 367235 , 6422318, 9394169, Am J Perinatol. 1997 Oct;14(9):567-71.). 3-Aminopropanenitrile is found in pulses. (C11-C13)Branched alkyl aminoethylenenitrile (C12-C18)Alkyl alkoxyethyleneaminonitrile β-alaminenitrile β-alaninenitrile β-aminoethyl cyanide β-aminopropionitrile β-cyanoethylamine 2-Cyanoethylamine 3-Aminopropanenitrile, 9CI 3-Aminopropionitrile 3-Aminopropionitrile fumarate 3-Aminopropiononitrile 3-Cyanopropylamine Aminopropionitrile B-alaminenitrile B-alaninenitrile B-aminoethyl cyanide b-Aminopropionitrile B-cyanoethylamine BAPN Beta-alaminenitrile Beta-alaninenitrile Beta-aminoethyl cyanide Beta-aminopropionitrile Beta-cyanoethylamine H2NCH2CH2CN Propanenitrile, 3-amino- Propanenitrile, 3-amino-, N-C11-13-isoalkyl derivs. Propionitrile, 3-amino- β-alaninenitrile β-aminoethyl cyanide β-aminopropionitrile β-cyanoethylamine C3H6N2 70.0931 70.053098202 3-aminopropanenitrile β aminopropionitrile 151-18-8 NCCC#N InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 AGSPXMVUFBBBMO-UHFFFAOYSA-N belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. Nitriles Organic compounds Organic nitrogen compounds Organonitrogen compounds Organic cyanides Aliphatic acyclic compounds Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Aliphatic acyclic compound Amine Carbonitrile Hydrocarbon derivative Nitrile Organopnictogen compound Primary aliphatic amine Primary amine aminopropionitrile Solid logp -1.08 ALOGPS logs -0.28 ALOGPS solubility 3.70e+01 g/l ALOGPS melting_point < 25 oC logp -0.85 ChemAxon pka_strongest_basic 7.85 ChemAxon iupac 3-aminopropanenitrile ChemAxon average_mass 70.0931 ChemAxon mono_mass 70.053098202 ChemAxon smiles NCCC#N ChemAxon formula C3H6N2 ChemAxon inchi InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 ChemAxon inchikey AGSPXMVUFBBBMO-UHFFFAOYSA-N ChemAxon polar_surface_area 49.81 ChemAxon refractivity 19.68 ChemAxon polarizability 7.53 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2135 Specdb::MsIr 2136 Specdb::MsIr 2137 Specdb::EiMs 181 Specdb::CMs 26493 Specdb::CMs 29042 Specdb::CMs 30326 Specdb::CMs 30848 Specdb::CMs 30849 Specdb::CMs 31757 Specdb::CMs 31758 Specdb::CMs 99836 Specdb::CMs 99837 Specdb::CMs 99838 Specdb::CMs 99839 Specdb::CMs 99840 Specdb::CMs 99841 Specdb::CMs 136801 Specdb::CMs 144535 Specdb::NmrOneD 2252 Specdb::NmrOneD 2950 Specdb::NmrOneD 149800 Specdb::NmrOneD 149801 Specdb::NmrOneD 149802 Specdb::NmrOneD 149803 Specdb::NmrOneD 149804 Specdb::NmrOneD 149805 Specdb::NmrOneD 149806 Specdb::NmrOneD 149807 Specdb::NmrOneD 149808 Specdb::NmrOneD 149809 Specdb::NmrOneD 149810 Specdb::NmrOneD 149811 Specdb::NmrOneD 149812 Specdb::NmrOneD 149813 Specdb::NmrOneD 149814 Specdb::NmrOneD 149815 Specdb::NmrOneD 149816 Specdb::NmrOneD 149817 Specdb::NmrOneD 149818 Specdb::NmrOneD 149819 Specdb::MsMs 24437 Specdb::MsMs 24438 Specdb::MsMs 24439 Specdb::MsMs 30995 Specdb::MsMs 30996 Specdb::MsMs 30997 Specdb::MsMs 445576 Specdb::MsMs 445577 Specdb::MsMs 445578 Specdb::MsMs 445579 Specdb::MsMs 445580 Specdb::MsMs 2452897 Specdb::MsMs 2452898 Specdb::MsMs 2452899 Specdb::MsMs 2482411 Specdb::MsMs 2482412 Specdb::MsMs 2482413 HMDB04101 27413 #<Reference:0x000056127185ee70> #<Reference:0x000056127185ebf0> #<Reference:0x000056127185e970> #<Reference:0x000056127185e5d8> #<Reference:0x000056127185e380> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Pulses Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Gamma-glutamyltransferase 5 P36269 GGT5 Gamma-glutamyltransferase 6 Q6P531 GGT6 Gamma-glutamyltransferase 7 Q9UJ14 GGT7 Gamma-glutamyltranspeptidase 1 P19440 GGT1