1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol

Modify Date: 2025-08-26 12:10:48

1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol Structure
1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol structure
Common Name 1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol
CAS Number 57734-87-9 Molecular Weight 327.84800
Density 1.26g/cm3 Boiling Point 455.4ºC at 760 mmHg
Molecular Formula C20H22ClNO Melting Point N/A
MSDS N/A Flash Point 229.2ºC

 Names

Name 1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 455.4ºC at 760 mmHg
Molecular Formula C20H22ClNO
Molecular Weight 327.84800
Flash Point 229.2ºC
Exact Mass 327.13900
PSA 23.47000
LogP 3.85560
Index of Refraction 1.648
InChIKey UNTIDFUYZYGXBI-UHFFFAOYSA-N
SMILES OC(c1ccccc1)(c1ccc(Cl)cc1)C1CN2CCC1CC2

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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