[(dimethylamino)(furan-2-yloxy)phosphoryl]dimethylamine

• ChemBase ID: 150883
• Molecular Formular: C8H15N2O3P
• Molecular Mass: 218.190061
• Monoisotopic Mass: 218.08202898
• SMILES: CN(C)P(=O)(N(C)C)Oc1ccco1
• Canonical SMILES: CN(P(=O)(N(C)C)Oc1ccco1)C
• InChI: InChI=1S/C8H15N2O3P/c1-9(2)14(11,10(3)4)13-8-6-5-7-12-8/h5-7H,1-4H3
• InChIKey: MBYJXHRJFIOGRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethylamino)(furan-2-yloxy)phosphoryl]dimethylamine
• IUPAC Traditional name: [dimethylamino(furan-2-yloxy)phosphoryl]dimethylamine
• Synonyms: 2-Furyl tetramethylphosphorodiamidate; 2-呋喃基四甲基磷二酰胺

Database IDs

• CAS Number: 105262-58-6
• MDL Number: MFCD00012327
• PubChem SID: 162245043
• PubChem CID: 4049390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.009696703
• LogD (pH = 7.4): -0.009695766
• Log P: -0.009695753
• Molar Refractivity: 53.3361 cm^3
• Polarizability: 21.252441 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C8H15N2O3P