Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
Basic information
- CAS
13522-00-4- Standard SMILES
Cc1nccnc1N1CCCCC1.Cl- InChIKey
RVFLZTKPQNDPMI-UHFFFAOYSA-N- Molecular formula
- C10H16ClN3
- Average molar mass
- 213.71 g/mol
- Monoisotopic mass
- 213.1032752
Names & identifiers
- Preferred name
- Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
- IUPAC
- 2-methyl-3-piperidin-1-ylpyrazine;hydrochloride
- English name
- 2-methyl-3-(1-piperidyl)pyrazine hydrochloride
- Molecular formula
- C10H16ClN3
- Molecular weight
- 0
Names & synonyms
13522-00-4Pyrazine, 2-methyl-3-piperidino-, monohydrochlorideW3207ADTXSID20159281RefChem:375913DTXCID90817722-methyl-3-piperidin-1-ylpyrazine;hydrochloride2-methyl-3-(piperidin-1-yl)pyrazine hydrochloride2-Methyl-3-(piperidin-1-yl)pyrazine--hydrogen chloride (1/1)2-methyl-3-(1-piperidyl)pyrazine hydrochloride
Database identifiers
- CAS
13522-00-4- PubChem CID
- 83550
- DTXSID
DTXSID20159281
Properties
Computed structural properties
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 112 · 112-114.2 °C(Solv: ethyl acetate (141-78-6))
- EWG's Food Scores
- 1 · 1
- Toxicity
- 50 oral · LD50 oral in rat: 730mg/kg
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 oral in rat: 730mg/kg
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Related reactions
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Compound notes
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