tetraethylazanium hydrogen carbonate

• ChemBase ID: 139289
• Molecular Formular: C9H21NO3
• Molecular Mass: 191.26794
• Monoisotopic Mass: 191.15214354
• SMILES: CC[N+](CC)(CC)CC.C(=O)(O)[O-]
• Canonical SMILES: [O-]C(=O)O.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.CH2O3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;(H2,2,3,4)/q+1;/p-1
• InChIKey: XUBMPLUQNSSFHO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium hydrogen carbonate
• IUPAC Traditional name: tetraethylammonium bicarbonate
• Synonyms: Tetraethylammonium hydrogen carbonate; Tetraethylammonium bicarbonate; 四乙基碳酸氢铵

Database IDs

• CAS Number: 17351-61-0
• MDL Number: MFCD08277046
• PubChem SID: 162233537
• PubChem CID: 11805541

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (T)
• Linear Formula: (CH3CH2)4N(HCO3)

DETAILS

Sigma Aldrich - 11268

Packaging
25 g in poly bottle