methyl[1-(pyridin-4-yl)ethyl]amine; bis(oxalic acid)

• ChemBase ID: 310309
• Molecular Formular: C12H16N2O8
• Molecular Mass: 316.26404
• Monoisotopic Mass: 316.09066548
• SMILES: C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.n1ccc(C(NC)C)cc1
• Canonical SMILES: OC(=O)C(=O)O.OC(=O)C(=O)O.CNC(c1ccncc1)C
• InChI: InChI=1S/C8H12N2.2C2H2O4/c1-7(9-2)8-3-5-10-6-4-8;2*3-1(4)2(5)6/h3-7,9H,1-2H3;2*(H,3,4)(H,5,6)
• InChIKey: LSMWLGXNHXCTSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-4-yl)ethyl]amine; bis(oxalic acid)
• IUPAC Traditional name: methyl[1-(pyridin-4-yl)ethyl]amine; bis(oxalic acid)
• Synonyms: N-methyl-1-(4-pyridinyl)ethanamine diethanedioate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4288614
• LogD (pH = 7.4): -1.2644875
• Log P: 0.73049724
• Molar Refractivity: 41.5679 cm^3
• Polarizability: 16.495989 Å^3
• Polar Surface Area: 24.92 Å^2