morpholine-4-carboximidamide hydroiodide

• ChemBase ID: 82339
• Molecular Formular: C5H12IN3O
• Molecular Mass: 257.07275
• Monoisotopic Mass: 257.00251002
• SMILES: N1(C(=N)N)CCOCC1.I
• Canonical SMILES: NC(=N)N1CCOCC1.I
• InChI: InChI=1S/C5H11N3O.HI/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
• InChIKey: LJQSGLRGQQZIMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carboximidamide hydroiodide
• IUPAC Traditional name: morpholine-4-carboximidamide hydroiodide
• Synonyms: Morpholine-4-carboximidamide hydroiodide; Morpholine-4-carboxamidine hydroiodide; morpholine-4-carboximidamide hydroiodide; Morpholine-4-carboxamidine hydroiodide; 吗啉-4-甲脒氢碘酸盐

Database IDs

• CAS Number: 102392-87-0
• MDL Number: MFCD00114180
• PubChem SID: 162069458
• PubChem CID: 2778396

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

• Melting Point: 141-145°C; 143-144°C

Safety Information

• Storage Warning: Toxic/Harmful/Store under Argon
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%; TECH