1814-13-7

1814-13-7 structure

1814-13-7 structure

Name: 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
Chemical Name: 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
CAS Number: 1814-13-7
Molecular Formula: C₂₃H₂₆FN₃O₃
Molecular Weight: 411.46900
Create Date: 2016-01-18 18:54:36
Modify Date: 2024-01-02 18:08:34

Name	1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
Synonyms	1-{1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-piperidin-4-yl}-3-hydroxymethyl-1,3-dihydro-benzoimidazol-2-one 2-Benzimidazolinone,1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-3-hydroxymethyl

Density	1.281g/cm3
Boiling Point	582ºC at 760 mmHg
Molecular Formula	C₂₃H₂₆FN₃O₃
Molecular Weight	411.46900
Flash Point	305.8ºC
Exact Mass	411.19600
PSA	67.47000
LogP	3.12980
Vapour Pressure	2.17E-14mmHg at 25°C
Index of Refraction	1.607

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE1940000

CHEMICAL NAME :: 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-3-hydro xymethyl-

CAS REGISTRY NUMBER :: 1814-13-7

BEILSTEIN REFERENCE NO. :: 0902604

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H26-F-N3-O3

MOLECULAR WEIGHT :: 411.52

WISWESSER LINE NOTATION :: T56 BNVNJ B1Q D- DT6NTJ A3VR DF

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 :: 32 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#11205