methanamine; nitric acid

• ChemBase ID: 128350
• Molecular Formular: CH6N2O3
• Molecular Mass: 94.06994
• Monoisotopic Mass: 94.03784206
• SMILES: CN.[N+](=O)(O)[O-]
• Canonical SMILES: [O-][N+](=O)O.CN
• InChI: InChI=1S/CH5N.HNO3/c1-2;2-1(3)4/h2H2,1H3;(H,2,3,4)
• InChIKey: PTIUDKQYXMFYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanamine; nitric acid
• IUPAC Traditional name: acid, nitric; methylamine
• Synonyms: Methylamine nitrate; Mono-methylamine nitrate; MMAN; Methylammonium nitrate

Database IDs

• CAS Number: 22113-87-7
• PubChem SID: 162222658
• PubChem CID: 159924
• Wikipedia Title: Methylammonium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 10.473 cm^3
• Polarizability: 3.677472 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true