Basic information
- CAS
1147-62-2- Standard SMILES
CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl- InChIKey
MWRACNBZNVAJHE-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO
- Average molar mass
- 281.82 g/mol
- Monoisotopic mass
- 281.1546421
Names & identifiers
- Preferred name
- 1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
- IUPAC
- 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
Names & synonyms
PYROVALERONE HYDROCHLORIDEThymergixPyrovalerone HCl1147-62-21-(p-Methylphenyl)-2-pyrrolidyl-1-pentanone hydrochlorideValerophenone, 4'-methyl-2-(1-pyrrolidinyl)-, hydrochlorideZ95Z9C2201SP-10591-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochlorideF-19831-PENTANONE, 1-(4-METHYLPHENYL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)RefChem:177880
Show more names
214-556-9CentrotonF 1983Pyrovalerone hydrochloride [USAN]4'-Methyl-2-(1-pyrrolidinyl)valerophenone hydrochloridePyrovalerone.HCl1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloridePyrovalerone hydrochloride (USAN)
Database identifiers
- CAS
1147-62-2- PubChem CID
- 14372
- DTXSID
DTXSID70921470- ChEMBL
CHEMBL2104793- UNII
- Z95Z9C2201
- EC Number
- 214-556-9
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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