1-methylguanidine; nitric acid

• ChemBase ID: 123309
• Molecular Formular: C2H8N4O3
• Molecular Mass: 136.10992
• Monoisotopic Mass: 136.05964014
• SMILES: [N+](=O)([O-])O.C(=N)(NC)N
• Canonical SMILES: [O-][N+](=O)O.CNC(=N)N
• InChI: InChI=1S/C2H7N3.HNO3/c1-5-2(3)4;2-1(3)4/h1H3,(H4,3,4,5);(H,2,3,4)
• InChIKey: YPHRUNNJDBFKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylguanidine; nitric acid
• IUPAC Traditional name: acid, nitric; methylguanidine
• Synonyms: 1-methylguanidine nitrate

Database IDs

• PubChem SID: 162217662
• PubChem CID: 12269665

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.3746827
• LogD (pH = 7.4): -3.3742156
• Log P: -0.9592296
• Molar Refractivity: 30.6334 cm^3
• Polarizability: 7.4338884 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HNO3