morpholine-4-carboximidamide hydrobromide

• ChemBase ID: 295571
• Molecular Formular: C5H12BrN3O
• Molecular Mass: 210.07228
• Monoisotopic Mass: 209.01637402
• SMILES: C1COCCN1C(=N)N.Br
• Canonical SMILES: NC(=N)N1CCOCC1.Br
• InChI: InChI=1S/C5H11N3O.BrH/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
• InChIKey: IOHSDHMCZXCESZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carboximidamide hydrobromide
• IUPAC Traditional name: morpholine-4-carboximidamide hydrobromide
• Synonyms: 4-Morpholinylformamidine hydrobromide; Morpholinoformamidine hydrobromide; Morpholine-4-carboxamidine hydrobromide; Morpholine-4-carboxiMidaMide hydrobroMide; 吗啉-4-甲脒氢溴酸盐

Database IDs

• CAS Number: 157415-17-3
• MDL Number: MFCD00051994
• Beilstein Number: 7389038
• PubChem SID: 180681102
• PubChem CID: 2806564

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: ca 155-165°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%