tetrakis(2H3)methylazanium chloride

• ChemBase ID: 139792
• Molecular Formular: C4H12ClN
• Molecular Mass: 109.59778
• Monoisotopic Mass: 109.06582707
• SMILES: C[N+](C)(C)C.[Cl-]
• Canonical SMILES: C[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
• InChIKey: OKIZCWYLBDKLSU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(^2H₃)methylazanium chloride
• IUPAC Traditional name: tetrakis(^2H₃)methylazanium chloride
• Synonyms: Tetramethyl-d12-ammonium chloride; 四甲基-d12-氯化铵

Database IDs

• MDL Number: MFCD00145382
• PubChem SID: 24882123; 162234040
• PubChem CID: 16217603

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C
• Mass Shift: M+12

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-36/37/38
• Safety Statements: 26-28-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P312
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 121.68 by atom % calculation
• Linear Formula: (CD3)4N+Cl-

DETAILS

Sigma Aldrich - 613576

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.