Basic information
- CAS
131242-39-2- Standard SMILES
CC(=O)[O-].CCCC[N+](C)(CCCC)CCCC- InChIKey
RGCDBVVJUKZRQW-UHFFFAOYSA-M- Molecular formula
- C15H33NO2
- Average molar mass
- 259.43 g/mol
- Monoisotopic mass
- 259.2511293
Names & identifiers
- Preferred name
- N-Methyl-N,N,N-tributylammonium acetate
- IUPAC
- tributyl(methyl)azanium acetate
Names & synonyms
131242-39-2RefChem:830543N-Methyl-N,N,N-tributylammonium acetate959-385-7tributylmethylammonium acetateN,N-Dibutyl-N-methylbutan-1-aminium acetateSCHEMBL557386MFCD29066927
Database identifiers
- CAS
131242-39-2- PubChem CID
- 9816633
- EC Number
- 959-385-7
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 124
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P317, P321, P330, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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