54080-21-6

54080-21-6 structure

Name: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Chemical Name: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CAS Number: 54080-21-6
Molecular Formula: C₂₅H₃₀FN₃O₃
Molecular Weight: 439.52200
Create Date: 2017-11-05 10:39:52
Modify Date: 2024-01-14 18:07:27

Name	8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms	8-(3-(2-p-Fluorophenyl-2-dioxolanyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane 1-phenyl-8-[3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one 8-<3-<2-(4-fluorophenyl)-1,3-dioxolan-2-yl>propyl>-1-phenyl-1,3,8-triazaspiro<4.5>decan-4-one spiperone ketal 1,3,8-Triazaspiro(4.5)decan-4-one,8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl

Density	1.29g/cm3
Boiling Point	628.3ºC at 760mmHg
Molecular Formula	C₂₅H₃₀FN₃O₃
Molecular Weight	439.52200
Flash Point	333.8ºC
Exact Mass	439.22700
PSA	54.04000
LogP	3.56570
Index of Refraction	1.627

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XX9170000

CHEMICAL NAME :: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1- phenyl-

CAS REGISTRY NUMBER :: 54080-21-6

BEILSTEIN REFERENCE NO. :: 0634001

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H30-F-N3-O3

MOLECULAR WEIGHT :: 439.58

WISWESSER LINE NOTATION :: T6N DXTJ A3- BT5O COTJ BR DF&& D-& CT5MVXN EHJ DR

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 :: 24 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11746

1021-25-6

3308-94-9

~79%

54080-21-6

Literature: Khorana, Nantaka; Bondarev, Mikhail; Dukat, Malgorzata; Herrick-Davis, Katharine; Egan, Christina; DuPre, Ann; Smith, Carol; Teitler, Milt; Glennon, Richard A. Medicinal Chemistry Research, 1999 , vol. 9, # 9 p. 657 - 667

Precursor 2
1021-25-6 3308-94-9
DownStream 0

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