methanamine; oxalic acid

• ChemBase ID: 242239
• Molecular Formular: C3H7NO4
• Molecular Mass: 121.09198
• Monoisotopic Mass: 121.03750771
• SMILES: C(=O)(C(=O)O)O.NC
• Canonical SMILES: OC(=O)C(=O)O.NC
• InChI: InChI=1S/C2H2O4.CH5N/c3-1(4)2(5)6;1-2/h(H,3,4)(H,5,6);2H2,1H3
• InChIKey: IPZOYWBSELDKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanamine; oxalic acid
• IUPAC Traditional name: methylamine; oxalic acid
• Synonyms: methanamine; oxalic acid

Database IDs

• MDL Number: MFCD22566008
• PubChem SID: 164298149
• PubChem CID: 71756971

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.664

Product Information

• Purity: 95%