3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
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Basic information
- CAS
1332528-92-3- Standard SMILES
Cl.Cl.c1ccc(Cn2cnnc2C2CCCNC2)cc1- InChIKey
YXSQHNQASRYTTG-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N4
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.106502
Names & identifiers
- Preferred name
- 3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
- IUPAC
- 3-(4-benzyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
- English name
- 3-(4-Benzyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
- Molecular formula
- C14H20Cl2N4
- Molecular weight
- 315.2414
Names & synonyms
3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride1332528-92-3MFCD191034783-(4-benzyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride3-(4-Benzyl-4H-1,2,4-triazol-3-yl)piperidinedihydrochlorideH316913-(4-benzyl-1,2,4-triazol-3-yl)piperidine:dihydrochloride
Database identifiers
- CAS
1332528-92-3- PubChem CID
- 56773805
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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