3-(2-Methylpiperidino)propyl=p-butoxybenzoate

Modify Date: 2025-11-29 07:46:40

3-(2-Methylpiperidino)propyl=p-butoxybenzoate Structure
3-(2-Methylpiperidino)propyl=p-butoxybenzoate structure
Common Name 3-(2-Methylpiperidino)propyl=p-butoxybenzoate
CAS Number 63916-68-7 Molecular Weight 333.46500
Density 1.018g/cm3 Boiling Point 449.2ºC at 760 mmHg
Molecular Formula C20H31NO3 Melting Point N/A
MSDS N/A Flash Point 225.5ºC

 Names

Name 3-(2-methylpiperidin-1-yl)propyl 4-butoxybenzoate

 Chemical & Physical Properties

Density 1.018g/cm3
Boiling Point 449.2ºC at 760 mmHg
Molecular Formula C20H31NO3
Molecular Weight 333.46500
Flash Point 225.5ºC
Exact Mass 333.23000
PSA 38.77000
LogP 4.22470
Index of Refraction 1.505
InChIKey PGDPFMRYKOURHD-UHFFFAOYSA-N
SMILES CCCCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4470000
CHEMICAL NAME :
Benzoic acid, p-butoxy-, 3-(2'-methylpiperidino)propyl ester
CAS REGISTRY NUMBER :
63916-68-7
BEILSTEIN REFERENCE NO. :
0267155
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H31-N-O3
MOLECULAR WEIGHT :
333.52
WISWESSER LINE NOTATION :
T6NTJ A3OVR DO4& B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
177 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RCPRAN Record of Chemical Progress. (Detroit, MI) V.1-32, 1939-71. Discontinued. Volume(issue)/page/year: 15,143,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RCPRAN Record of Chemical Progress. (Detroit, MI) V.1-32, 1939-71. Discontinued. Volume(issue)/page/year: 15,143,1954

 Safety Information

HS Code 2933399090

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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