Ammonium, (1-benzyl-3-methyl-5-pyrazolyloxyethyl)trimethyl-, iodide
Basic information
- CAS
7368-12-9- Standard SMILES
Cc1cc(OCC[N+](C)(C)C)n(Cc2ccccc2)n1.[I-]- InChIKey
PTPNFFINPSVXLH-UHFFFAOYSA-M- Molecular formula
- C16H24IN3O
- Average molar mass
- 401.29 g/mol
- Monoisotopic mass
- 401.09641
Names & identifiers
- Preferred name
- Ammonium, (1-benzyl-3-methyl-5-pyrazolyloxyethyl)trimethyl-, iodide
- IUPAC
- 2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl-trimethylazanium iodide
- English name
- B-325
- Molecular formula
- C16H24IN3O
- Molecular weight
- 401.28573
Names & synonyms
7368-12-9(1-Benzyl-3-methyl-5-pyrazolyloxyethyl)trimethylammonium iodideB-325AMMONIUM, (1-BENZYL-3-METHYL-5-PYRAZOLYLOXYETHYL)TRIMETHYL-, IODIDERefChem:318687DTXSID909945002-[(1-Benzyl-3-methyl-1H-pyrazol-5-yl)oxy]-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
7368-12-9- PubChem CID
- 23835
- DTXSID
DTXSID90994500
Properties
Computed structural properties
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 162 · 162-163 °C
- storage temp.
- -196 °C · -196°C
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 4013 mg/kg ARZNAD 17,214,67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-mus: 4013 mg/kg ARZNAD 17,214,67
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Compound notes
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