morpholine-4-carboximidamide

• ChemBase ID: 65938
• Molecular Formular: C5H11N3O
• Molecular Mass: 129.16034
• Monoisotopic Mass: 129.09021199
• SMILES: C1CN(CCO1)C(=N)N
• Canonical SMILES: NC(=N)N1CCOCC1
• InChI: InChI=1S/C5H11N3O/c6-5(7)8-1-3-9-4-2-8/h1-4H2,(H3,6,7)
• InChIKey: WCUWHUUPGXCMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carboximidamide
• IUPAC Traditional name: morpholine-4-carboximidamide
• Synonyms: Morpholine-4-carboximidamide

Database IDs

• CAS Number: 17238-66-3; 5638-78-8
• MDL Number: MFCD03426304
• PubChem SID: 162031677
• PubChem CID: 205053

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%