[bis(dimethylamino)(imino)-λ5-phosphanyl]dimethylamine

• ChemBase ID: 148602
• Molecular Formular: C6H19N4P
• Molecular Mass: 178.215621
• Monoisotopic Mass: 178.13473326
• SMILES: CN(C)P(=N)(N(C)C)N(C)C
• Canonical SMILES: CN(P(=N)(N(C)C)N(C)C)C
• InChI: InChI=1S/C6H19N4P/c1-8(2)11(7,9(3)4)10(5)6/h7H,1-6H3
• InChIKey: GKTNLYAAZKKMTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(dimethylamino)(imino)-λ^5-phosphanyl]dimethylamine
• IUPAC Traditional name: [bis(dimethylamino)(imino)-λ^5-phosphanyl]dimethylamine
• Synonyms: N,N,N′,N′,N″,N″-Hexamethylphosphorimidic triamide; Phosphazene base P1-H; Imino-tris(dimethylamino)phosphorane; N,N,N′,N′,N″,N″-六甲基亚氨代磷酸三酰胺; 膦腈配体 P1-H; 亚氨基-三(二甲氨基)正膦

Database IDs

• CAS Number: 49778-01-0
• MDL Number: MFCD00216725
• Beilstein Number: 1933051
• PubChem SID: 162242777; 24880421; 24868170
• PubChem CID: 4349627

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3901519
• LogD (pH = 7.4): -1.3900155
• Log P: -1.3900138
• Molar Refractivity: 49.76 cm^3
• Polarizability: 20.29209 Å^3
• Polar Surface Area: 33.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 0.979 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.476; n20/D 1.476(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• 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 2735 8/PG 3

Product Information

• Purity: ≥97.0% (NT); 97%
• Grade: purum
• Linear Formula: [(CH3)2N]3P=NH

DETAILS

Sigma Aldrich - 445274

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

Sigma Aldrich - 56813

Other Notes
Building block for the synthesis of your tailor-made phosphazene base. For standard phosphazene bases, see "Phosphazene Base" in the catalogue1,2
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases