1,1-dimethylguanidine; sulfuric acid

• ChemBase ID: 123421
• Molecular Formular: C3H11N3O4S
• Molecular Mass: 185.20214
• Monoisotopic Mass: 185.04702685
• SMILES: S(=O)(=O)(O)O.C(=N)(N(C)C)N
• Canonical SMILES: OS(=O)(=O)O.CN(C(=N)N)C
• InChI: InChI=1S/C3H9N3.H2O4S/c1-6(2)3(4)5;1-5(2,3)4/h1-2H3,(H3,4,5);(H2,1,2,3,4)
• InChIKey: ACPFLXJEPKOPGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethylguanidine; sulfuric acid
• IUPAC Traditional name: dimethylguanidine; sulfuric acid
• Synonyms: 1,1-dimethylguanidine sulfate

Database IDs

• PubChem SID: 162217774
• PubChem CID: 220673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1127086
• LogD (pH = 7.4): -3.112397
• Log P: -0.6972535
• Molar Refractivity: 35.9281 cm^3
• Polarizability: 9.264662 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: H2SO4