1.0 2016-09-30 22:50:39 UTC 2020-05-11 20:39:47 UTC BMDB0002064 BMDB02064 N-Acetylputrescine N-Acetylputrescine belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). N-Acetylputrescine is possibly soluble (in water) and a very strong basic compound (based on its pKa). N-Acetylputrescine exists in all living species, ranging from bacteria to humans. Acetylputrescine Monoacetylputrescine N-(4-Aminobutyl)acetamide N-Acetylputrescine monohydrochloride C6H14N2O 130.1882 130.11061308 N-(4-aminobutyl)acetamide acetylputrescine 18233-70-0 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). Organic compounds Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Carboximidic acids Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Amine Carboximidic acid Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds N-monoacetylalkane-alpha,omega-diamine N-substituted putrescine an aliphatic <i>N</i>-acetyl-diamine Solid logp -0.84 ALOGPS logs 0.04 ALOGPS logp -1 ChemAxon pka_strongest_acidic 16.48 ChemAxon pka_strongest_basic 9.9 ChemAxon iupac N-(4-aminobutyl)acetamide ChemAxon average_mass 130.1882 ChemAxon mono_mass 130.11061308 ChemAxon smiles CC(=O)NCCCCN ChemAxon formula C6H14N2O ChemAxon inchi InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) ChemAxon inchikey KLZGKIDSEJWEDW-UHFFFAOYSA-N ChemAxon polar_surface_area 55.12 ChemAxon refractivity 36.82 ChemAxon polarizability 15.28 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1784 Specdb::NmrOneD 1844 Specdb::MsIr 1580 Specdb::MsIr 1581 Specdb::MsIr 1582 Specdb::CMs 804 Specdb::CMs 805 Specdb::CMs 806 Specdb::CMs 1376 Specdb::CMs 1409 Specdb::CMs 2521 Specdb::CMs 30390 Specdb::CMs 30922 Specdb::CMs 30923 Specdb::CMs 31387 Specdb::CMs 31388 Specdb::CMs 31691 Specdb::CMs 31692 Specdb::CMs 136305 Specdb::CMs 144039 Specdb::MsMs 1975 Specdb::MsMs 1976 Specdb::MsMs 1977 Specdb::MsMs 5694 Specdb::MsMs 5695 Specdb::MsMs 5696 Specdb::MsMs 5697 Specdb::MsMs 5698 Specdb::MsMs 5702 Specdb::MsMs 178338 Specdb::MsMs 178339 Specdb::MsMs 178340 Specdb::MsMs 180654 Specdb::MsMs 180655 Specdb::MsMs 180656 Specdb::MsMs 445591 Specdb::MsMs 445592 Specdb::MsMs 445593 Specdb::MsMs 445594 Specdb::MsMs 445595 Specdb::MsMs 448116 Specdb::MsMs 451940 Specdb::MsMs 2231076 Specdb::MsMs 2233107 Specdb::MsMs 2239726 Milk Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. 11913692 Milk Milk from Friesuan Holstein cows (n=1035) Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022827 109095 17768 122356 C02714 1445791 3252 CPD-569 Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. 11913692