2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N-nonamethyl-2,4,6-triaza-3λ5,5λ5-diphosphaocta-3,5-diene-3,3,5,5-tetramine

• ChemBase ID: 138046
• Molecular Formular: C12H35N7P2
• Molecular Mass: 339.400722
• Monoisotopic Mass: 339.24291742
• SMILES: CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: CCN=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C
• InChI: InChI=1S/C12H35N7P2/c1-12-13-20(15(2)3,16(4)5)14-21(17(6)7,18(8)9)19(10)11/h12H2,1-11H3
• InChIKey: CFUKEHPEQCSIOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N-nonamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• IUPAC Traditional name: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N-nonamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• Synonyms: Tetramethyl(tris(dimethylamino)phosphoranylidene)phosphorictriamid-Et-imin; 1-Ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); Phosphazene base P2-Et; 1-乙基-2,2,4,4,4-五(二甲氨基)-2λ5,4λ5-连二(磷氮基化合物); 磷腈配体 P2-Et

Database IDs

• CAS Number: 165535-45-5
• MDL Number: MFCD00145113
• Beilstein Number: 7485991
• PubChem SID: 162232305; 24887455
• PubChem CID: 3393106

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.7659237
• LogD (pH = 7.4): -1.9085776
• Log P: -1.8718023
• Molar Refractivity: 98.3569 cm^3
• Polarizability: 38.328495 Å^3
• Polar Surface Area: 40.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96 °C/0.05 mmHg(lit.)
• Density: 1.02 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.492; n20/D 1.492(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Purity: ≥98.0% (NT); 98%
• Linear Formula: [(CH3)2N]3P=NP(=NC2H5)[N(CH3)2]2

DETAILS

Sigma Aldrich - 79417

Other Notes
Extremely strong, neutral nitrogen base. It gives excellent results where other bases fail1
Packaging
1, 5 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

Sigma Aldrich - 420425

Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases