acetic acid; morpholine-4-carboximidamide

• ChemBase ID: 54271
• Molecular Formular: C7H15N3O3
• Molecular Mass: 189.2123
• Monoisotopic Mass: 189.11134136
• SMILES: C1OCCN(C1)C(=N)N.CC(=O)O
• Canonical SMILES: NC(=N)N1CCOCC1.CC(=O)O
• InChI: InChI=1S/C5H11N3O.C2H4O2/c6-5(7)8-1-3-9-4-2-8;1-2(3)4/h1-4H2,(H3,6,7);1H3,(H,3,4)
• InChIKey: WZTUWDZSUZKXKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetic acid; morpholine-4-carboximidamide
• IUPAC Traditional name: acetic acid; morpholine-4-carboximidamide
• Synonyms: Morpholine-4-carboxamidinium acetate

Database IDs

• CAS Number: 402726-73-2
• MDL Number: MFCD03428317
• PubChem SID: 162059034
• PubChem CID: 51064080

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%