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5485-65-4 molecular structure
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1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride

ChemBase ID: 166484
Molecular Formular: C15H22ClNO
Molecular Mass: 267.79428
Monoisotopic Mass: 267.13899201
SMILES and InChIs

SMILES:
c1cccc(c1)C(=O)C(CCC)N1CCCC1.Cl
Canonical SMILES:
CCCC(C(=O)c1ccccc1)N1CCCC1.Cl
InChI:
InChI=1S/C15H21NO.ClH/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;/h3-5,9-10,14H,2,6-8,11-12H2,1H3;1H
InChIKey:
ROMXVSMENBAYRM-UHFFFAOYSA-N

Cite this record

CBID:166484 http://www.chembase.cn/molecule-166484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride
IUPAC Traditional name
α-pyrrolidinopentiophenone hydrochloride
Synonyms
1-Phenyl-2-(1-pyrrolidinyl)-1-pentanone Hydrochloride
2-(1-Pyrrolidinyl)valerophenone Hydrochloride
2-(Pyrrolidin-1-yl)phenylpentan-1-one Hydrochloride
Pyrrolidinovalerophenone Hydrochloride
PVP Hydrochloride
α-Pyrrolidinopentiophenone Hydrochloride
α-PVP Hydrochloride
Desmethyl Pyrovalerone Hydrochloride Salt
CAS Number
5485-65-4
PubChem SID
162260617
PubChem CID
11579868

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D291955 external link Add to cart
PubChem 11579868 external link
Data Source Data ID Price
TRC
D291955 external link Add to cart Please log in.
Data Source Data ID
PubChem 11579868 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.0026159 
LogD (pH = 7.4) 2.7510536  Log P 3.3640447 
Molar Refractivity 71.0497 cm3 Polarizability 27.776808 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 17.90664 
H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
158-163°C expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D291955 external link
α-Pyrrolidinovalerophenone (PVP) is a stimulant compound developed in the 1960s and related to Pyrovalerone (P99775), which has been reported as a novel designer drug.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Fleckenstein, A., et al.: Eur. J. Pharmacol., 406, 1 (2000)
  • • Meltzer, P., et al.: J. Med. Chem., 44, 2619 (2000)
  • • Gorclick, D., et al.: Drugs, 64, 1547 (20040,
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PATENTS

PATENTS

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INTERNET

INTERNET

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