1-Dodecyl-3-methylimidazolium Bromide

• CAS: 61546-00-7
• Catalog Number: ACM61546007
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 331.34
• Molecular Formula: C16H31BrN2
• Synonyms: 1-Dodecyl-3-methyl-1H-imidazol-3-ium Bromide
• IUPAC Name: 1-dodecyl-3-methylimidazol-3-ium;bromide
• Canonical SMILES: CCCCCCCCCCCCN1C=C[N+](=C1)C.[Br-]
• InChI: 1S/C16H31N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;/h14-16H,3-13H2,1-2H3;1H/q+1;/p-1
• InChI Key: QWLSTCVUGYAKLE-UHFFFAOYSA-M
• Melting Point: 45 °C
• Solubility: soluble in Methanol
• Appearance: White to Light yellow powder to crystal
• Application: Ionic liquid
• Storage: Store under inert gas
• Abbreviation: C12MIMBr
• Chemical Formula: [C12MIM]Br
• Complexity: 182
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 330.16706g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 19
• MDL Number: MFCD09038874
• Monoisotopic Mass: 330.16706g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.43
• Rotatable Bond Count: 11
• Signal Word: Warning
• Specific Gravity: 1.58

Custom Q&A

What is the molecular formula of 1-dodecyl-3-methylimidazolium bromide?

The molecular formula is C16H31BrN2.

When was 1-dodecyl-3-methylimidazolium bromide created and modified?

It was created on 2007-10-15 and modified on 2023-12-30.

What is the IUPAC name of 1-dodecyl-3-methylimidazolium bromide?

The IUPAC name is 1-dodecyl-3-methylimidazol-3-ium;bromide.

What is the InChIKey of 1-dodecyl-3-methylimidazolium bromide?

The InChIKey is QWLSTCVUGYAKLE-UHFFFAOYSA-M.

What is the Canonical SMILES of 1-dodecyl-3-methylimidazolium bromide?

The Canonical SMILES is CCCCCCCCCCCCN1C=C[N+](=C1)C.[Br-].

What is the CAS number of 1-dodecyl-3-methylimidazolium bromide?

The CAS number is 61546-00-7.

How many hydrogen bond acceptor counts does 1-dodecyl-3-methylimidazolium bromide have?

It has 1 hydrogen bond acceptor count.

What is the topological polar surface area of 1-dodecyl-3-methylimidazolium bromide?

The topological polar surface area is 8.8 Ų.

Is 1-dodecyl-3-methylimidazolium bromide a canonicalized compound?

Yes, it is a canonicalized compound.

How many covalently-bonded unit counts does 1-dodecyl-3-methylimidazolium bromide have?

It has 2 covalently-bonded unit counts.