1-butyl-3-[(4-chlorophenyl)-phenyl-methoxy]pyrrolidine

Modify Date: 2025-10-04 10:58:41

1-butyl-3-[(4-chlorophenyl)-phenyl-methoxy]pyrrolidine Structure
1-butyl-3-[(4-chlorophenyl)-phenyl-methoxy]pyrrolidine structure
Common Name 1-butyl-3-[(4-chlorophenyl)-phenyl-methoxy]pyrrolidine
CAS Number 102446-17-3 Molecular Weight 343.89000
Density 1.13g/cm3 Boiling Point 433.5ºC at 760mmHg
Molecular Formula C21H26ClNO Melting Point N/A
MSDS N/A Flash Point 216ºC

 Names

Name 1-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 433.5ºC at 760mmHg
Molecular Formula C21H26ClNO
Molecular Weight 343.89000
Flash Point 216ºC
Exact Mass 343.17000
PSA 12.47000
LogP 5.25830
Vapour Pressure 1.02E-07mmHg at 25°C
Index of Refraction 1.583
InChIKey LDCAVJYDEQRFHB-UHFFFAOYSA-N
SMILES CCCCN1CCC(OC(c2ccccc2)c2ccc(Cl)cc2)C1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY0705100
CHEMICAL NAME :
Pyrrolidine, 3-(p-chloro-alpha-phenylbenzyloxy)-1-butyl-
CAS REGISTRY NUMBER :
102446-17-3
BEILSTEIN REFERENCE NO. :
0281898
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H26-Cl-N-O
MOLECULAR WEIGHT :
343.93
WISWESSER LINE NOTATION :
T5NTJ A4 COYR&R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,73,1959

 Synthetic Route

~%

1-butyl-3-[(4-chlorophenyl)-phenyl-methoxy]pyrrolidine Structure

1-butyl-3-[(4-c...

CAS#:102446-17-3

Literature: Lunsford et al. Journal of Medicinal and Pharmaceutical Chemistry, 1959 , vol. 1, p. 73,78,80,81

 Synonyms

ahr 225
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