bis([amino(methoxy)methylidene]azanium) sulfate

• ChemBase ID: 70089
• Molecular Formular: C4H14N4O6S
• Molecular Mass: 246.24216
• Monoisotopic Mass: 246.06340519
• SMILES: [NH2+]=C(OC)N.[NH2+]=C(OC)N.S(=O)(=O)([O-])[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].COC(=[NH2+])N.COC(=[NH2+])N
• InChI: InChI=1S/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
• InChIKey: QSCPQKVWSNUJLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis([amino(methoxy)methylidene]azanium) sulfate
• IUPAC Traditional name: bis([amino(methoxy)methylidene]azanium) sulfate
• Synonyms: O-Methylisourea hemisulfate

Database IDs

• CAS Number: 52328-05-9
• PubChem SID: 162035814
• PubChem CID: 52987645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.777157
• LogD (pH = 7.4): -2.2703793
• Log P: -0.3742357
• Molar Refractivity: 29.7525 cm^3
• Polarizability: 7.299756 Å^3
• Polar Surface Area: 60.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%