4-[bis(morpholin-4-yl)phosphoroso]morpholine

• ChemBase ID: 87529
• Molecular Formular: C12H24N3O4P
• Molecular Mass: 305.310421
• Monoisotopic Mass: 305.15044289
• SMILES: P(=O)(N1CCOCC1)(N1CCOCC1)N1CCOCC1
• Canonical SMILES: O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1
• InChI: InChI=1S/C12H24N3O4P/c16-20(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12H2
• InChIKey: WXMQHPKQCPCDQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[bis(morpholin-4-yl)phosphoroso]morpholine
• IUPAC Traditional name: 4-[bis(morpholin-4-yl)phosphoroso]morpholine
• Synonyms: Phosphoric acid trimorpholide; 4,4',4''-Phosphoryltrimorpholine; Tris(morpholin-4-yl)phosphine oxide 98%; Trimorpholinophosphine oxide; PHOSPHORIC ACID TRIMORPHOLIDE; Trimorpholinophosphine oxide; Phosphoric trimorpholide; Tri(4-morpholinyl)phosphine oxide; 三(4-吗啉基)氧化膦; 三(4-吗啉代)膦氧化物

Database IDs

• CAS Number: 4441-12-7
• EC Number: 224-662-7
• MDL Number: MFCD00047406
• Beilstein Number: 280155
• PubChem SID: 24881895; 162074569
• PubChem CID: 78180

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.0582008
• LogD (pH = 7.4): -2.058177
• Log P: -2.0581765
• Molar Refractivity: 75.8618 cm^3
• Polarizability: 30.659927 Å^3
• Polar Surface Area: 54.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-192 °C; 188-192°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%; 99% (HPLC)
• Empirical Formula (Hill Notation): C12H24N3O4P

DETAILS

MP Biomedicals - 05221428

MP Biomedicals Rare Chemical collection