BX 513 hydrochloride
Basic information
- CAS
193542-65-3- Standard SMILES
Cl.N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1- InChIKey
SSZWNUGWOGONQJ-UHFFFAOYSA-N- Molecular formula
- C28H30Cl2N2O
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 480.173519
Names & identifiers
- Preferred name
- BX 513 hydrochloride
- IUPAC
- 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
- English name
- 4-(4-Chlorophenyl)-4-hydroxy-α,α-diphenyl-1-piperidinepentanenitrile hydrochloride
- Molecular formula
- C28H29ClN2O
- Molecular weight
- 445
Names & synonyms
BX 513 hydrochloride193542-65-31216540-18-9BX-513 hydrochlorideVUF 2274BX-513 HCl5-[4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL]-2,2-DIPHENYLPENTANENITRILE HYDROCHLORIDEBX-5135-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile hydrochloride5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochlorideBX513 hydrochlorideBX-513 (hydrochloride)
Show more names
BX513BX 513BX 513 HCLBX513BX 5131-Piperidinepentanenitrile, 4-(4-chlorophenyl)-4-hydroxy-α,α-diphenyl-4-(4-Chlorophenyl)-4-hydroxy-α,α-diphenyl-1-piperidinepentanenitrilehydrochloride4-(4-Chlorophenyl)-4-hydroxy-α,α-diphenyl-1-piperidinepentanenitrile hydrochloride
C28H30Cl2N2Oorb1737589orb3137053SCHEMBL29401934DTXSID30719335GLXC-07097MFCD09971135AKOS024457285
Database identifiers
- CAS
193542-65-3- PubChem CID
- 56972186
- DTXSID
DTXSID30719335
Properties
Computed structural properties
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- storage temp.
- 4 °C · Desiccate at +4°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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