morpholine-4-carboximidamide; sulfuric acid

• ChemBase ID: 251880
• Molecular Formular: C5H13N3O5S
• Molecular Mass: 227.23882
• Monoisotopic Mass: 227.05759153
• SMILES: S(=O)(=O)(O)O.C(=N)(N1CCOCC1)N
• Canonical SMILES: OS(=O)(=O)O.NC(=N)N1CCOCC1
• InChI: InChI=1S/C5H11N3O.H2O4S/c6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h1-4H2,(H3,6,7);(H2,1,2,3,4)
• InChIKey: XHQCEGHWOJKISX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carboximidamide; sulfuric acid
• IUPAC Traditional name: morpholine-4-carboximidamide; sulfuric acid
• Synonyms: sulfuric acid compound with morpholine-4-carboximidamide (1:1)

Database IDs

• CAS Number: 17238-66-3
• MDL Number: MFCD08448139
• PubChem SID: 164307790
• PubChem CID: 12427953

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3311896
• LogD (pH = 7.4): -3.329383
• Log P: -0.915754
• Molar Refractivity: 45.0026 cm^3
• Polarizability: 12.943 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.038

Product Information

• Purity: 95%
• Salt Data: H2SO4