2,2,4,4-tetrakis(dimethylamino)-1,1,3,3-tetramethyl-1,3,2,4-diazadigalletidine-1,3-diium-2,4-diuide

• ChemBase ID: 145569
• Molecular Formular: C12H36Ga2N6
• Molecular Mass: 403.90044
• Monoisotopic Mass: 402.15129118
• SMILES: CN(C)[Ga-]1([N+]([Ga-]([N+]1(C)C)(N(C)C)N(C)C)(C)C)N(C)C
• Canonical SMILES: CN([Ga-]1(N(C)C)[N+](C)(C)[Ga-]([N+]1(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/6C2H6N.2Ga/c6*1-3-2;;/h6*1-2H3;;/q4*-1;4*+1
• InChIKey: RVOVCNXACQVIAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4-tetrakis(dimethylamino)-1,1,3,3-tetramethyl-1,3,2,4-diazadigalletidine-1,3-diium-2,4-diuide
• IUPAC Traditional name: 2,2,4,4-tetrakis(dimethylamino)-1,1,3,3-tetramethyl-1,3,2,4-diazadigalletidine-1,3-diium-2,4-diuide
• Synonyms: Tris(dimethylamido)gallium(III); 三(二甲基氨基)镓(III)

Database IDs

• CAS Number: 57731-40-5
• MDL Number: MFCD11973803
• PubChem SID: 162239774; 24878903
• PubChem CID: 71311172

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -8.56503
• LogD (pH = 7.4): -7.2671466
• Log P: -7.1663485
• Molar Refractivity: 104.5902 cm^3
• Polarizability: 39.327217 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 104-105.5 °C(lit.)
• Flash Point: 131 °F; 55 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2925 4.1/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H36Ga2N6

DETAILS

Sigma Aldrich - 546534

General description
Atomic number of base material: 31 Gallium
Packaging
5 g in glass bottle