4231888 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 17 15 14 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 5 6 8 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 12 5 6 7 11 4 13 14 15 9 17 18 10 11 16 10 12 21 22 23 24 25 26 27 28 35 36 29 30 31 32 33 34 37 38 39 19 40 41 20 42 43 44 45 46 47 48 49 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 4 10 12 21 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8.9282 4.5981 9.7942 8.9282 3.732 4.0981 5.0981 6.3301 8.0622 7.1962 5.4641 8.0622 10.6603 10.2942 9.2942 6.3301 2.866 4.5981 2 4.0981 8.0622 7.5947 6.7976 5.8626 5.0656 7.4516 7.8501 10.3503 10.8312 10.6042 9.7573 8.7573 8.9842 9.8312 11.1972 10.9703 5.7101 6.3301 6.9501 3.2646 2.4675 5.073 5.073 1.69 1.4631 2.31 4.635 3.7881 3.5611 -2.049 -0.549 -0.549 -0.049 -1.049 0.317 -1.4151 -0.549 -0.549 -0.049 -0.049 -1.549 -1.049 0.317 -1.4151 -1.549 -0.549 1.183 -1.049 2.049 0.071 0.4259 0.4259 0.4259 0.4259 -1.4414 -2.1316 -1.586 0.007 0.8539 0.627 -1.1051 -1.952 -1.7251 -1.359 -0.5121 -1.549 -2.169 -1.549 -0.0741 -0.0741 0.7845 1.5815 -0.5121 -1.359 -1.586 2.359 2.586 1.739 3 9 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 304 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E072380A040000000000000000000000000000000000000000000000000000000000001E1A000060000817E180464200030001110040000000800000000000000000000803000200000000000400000000001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 3-chloro-N-(diethoxyphosphorylmethyl)-N-methyl-2-trimethylsilyloxy-propan-1-amine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 3-chloro-N-(diethoxyphosphorylmethyl)-N-methyl-2-trimethylsilyloxy-1-propanamine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 3-chloro-N-(diethoxyphosphorylmethyl)-N-methyl-2-trimethylsilyloxypropan-1-amine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 3-chloranyl-N-(diethoxyphosphorylmethyl)-N-methyl-2-trimethylsilyloxy-propan-1-amine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-chloro-2-trimethylsilyloxy-propyl)-(diethoxyphosphorylmethyl)-methyl-amine InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C12H29ClNO4PSi/c1-7-16-19(15,17-8-2)11-14(3)10-12(9-13)18-20(4,5)6/h12H,7-11H2,1-6H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 QLPCRVMUZGGFEK-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 345.129199 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C12H29ClNO4PSi Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 345.875222 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=O)(CN(C)CC(CCl)O[Si](C)(C)C)OCC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=O)(CN(C)CC(CCl)O[Si](C)(C)C)OCC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 48 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 345.129199 20 1 0 1 0 0 0 0 1 1