9002-18-0 Purity
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Specification
The molecular formula is C13H22N2O4.
The synonyms are 947403-75-0, 4-Amino-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, MFCD18434501, 1-(tert-Butyl) 3-ethyl 4-amino-5,6-dihydropyridine-1,3(2H)-dicarboxylate.
The molecular weight is 270.32 g/mol.
The IUPAC name is 1-O-tert-butyl 5-O-ethyl 4-amino-3,6-dihydro-2H-pyridine-1,5-dicarboxylate.
The InChI code is InChI=1S/C13H22N2O4/c1-5-18-11(16)9-8-15(7-6-10(9)14)12(17)19-13(2,3)4/h5-8,14H2,1-4H3.
The InChIKey is GJAQACJJJRXXED-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)C1=C(CCN(C1)C(=O)OC(C)(C)C)N.
The CAS number is 947403-75-0.
The XLogP3-AA value is 1.3.
It has 5 hydrogen bond acceptor counts.
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