3-(1-pyrrolidinyl)propiophenone hydrochloride

Modify Date: 2025-08-26 21:22:43

3-(1-pyrrolidinyl)propiophenone hydrochloride Structure
3-(1-pyrrolidinyl)propiophenone hydrochloride structure
Common Name 3-(1-pyrrolidinyl)propiophenone hydrochloride
CAS Number 833-86-3 Molecular Weight 239.74100
Density 1.051g/cm3 Boiling Point 328.6ºC at 760 mmHg
Molecular Formula C13H18ClNO Melting Point N/A
MSDS N/A Flash Point 122.2ºC

 Names

Name 1-phenyl-3-pyrrolidin-1-ylpropan-1-one,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.051g/cm3
Boiling Point 328.6ºC at 760 mmHg
Molecular Formula C13H18ClNO
Molecular Weight 239.74100
Flash Point 122.2ºC
Exact Mass 239.10800
PSA 20.31000
LogP 3.09510
Index of Refraction 1.543
InChIKey AACQWMDCFMYTSE-UHFFFAOYSA-N
SMILES Cl.O=C(CCN1CCCC1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UH4428000
CHEMICAL NAME :
Propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride
CAS REGISTRY NUMBER :
833-86-3
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H17-N-O.Cl-H
MOLECULAR WEIGHT :
239.77
WISWESSER LINE NOTATION :
T5NTJ A2VR &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Synthetic Route

~81%

3-(1-pyrrolidinyl)propiophenone hydrochloride Structure

3-(1-pyrrolidin...

CAS#:833-86-3

Literature: Peng, Yanqing; Dou, Ruiling; Song, Gonghua; Jiang, Jun Synlett, 2005 , # 14 art. no. U19205ST, p. 2245 - 2247

~66%

3-(1-pyrrolidinyl)propiophenone hydrochloride Structure

3-(1-pyrrolidin...

CAS#:833-86-3

Literature: Moriarty, Robert M.; Prakash, Om; Thachet, Cyriac T.; Musallam, Hikmat A. Heterocycles, 1985 , vol. 23, # 3 p. 633 - 639

~%

3-(1-pyrrolidinyl)propiophenone hydrochloride Structure

3-(1-pyrrolidin...

CAS#:833-86-3

Literature: Occelli, E.; Fontanella, L.; Diena, A.; Schiatti, P. Farmaco, Edizione Scientifica, 1985 , vol. 40, # 2 p. 86 - 101

 Synonyms

3-pyrrolidinopropiophenone hydrochloride
3-(1-Pyrrolidinyl)propiophenone hydrochloride
Propiophenone,3-(1-pyrrolidinyl)-,hydrochloride
1-phenyl-3-pyrrolidino-propan-1-one,hydrochloride
Pyrrolidinopropiophenone hydrochloride
1-Phenyl-3-pyrrolidino-propan-1-on,Hydrochlorid
3-(1-Pyrrolidiny)propiophenone hydrochloride
1-(phenyl)-3-(1'-pyrrolidin)propanone hydrochloride
EINECS 212-633-1
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