1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol

Modify Date: 2025-08-20 10:34:44

1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol structure	Common Name	1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol
	CAS Number	968-63-8	Molecular Weight	291.38700
	Density	1.139g/cm3	Boiling Point	475.4ºC at 760mmHg
	Molecular Formula	C₂₀H₂₁NO	Melting Point	N/A
	MSDS	N/A	Flash Point	247.8ºC

Use of 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol

1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1].

Name	1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Synonym	More Synonyms

Description	1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology
References	[1]. Heuer, Hubert, et al. Synergistic combinations of PAF antagonists and anticholinergic agents as drugs for treatment of bronchial asthma.

Density	1.139g/cm3
Boiling Point	475.4ºC at 760mmHg
Molecular Formula	C₂₀H₂₁NO
Molecular Weight	291.38700
Flash Point	247.8ºC
Exact Mass	291.16200
PSA	23.47000
LogP	2.95960
Index of Refraction	1.609
InChIKey	LWPXJPFOEPMIRG-UHFFFAOYSA-N
SMILES	OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES0779000

CHEMICAL NAME :: 2-Butyn-1-ol, 1,1-diphenyl-4-(1-pyrrolidinyl)-

CAS REGISTRY NUMBER :: 968-63-8

BEILSTEIN REFERENCE NO. :: 1388528

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H21-N-O

MOLECULAR WEIGHT :: 291.42

WISWESSER LINE NOTATION :: T5NTJ A2UU1XQR&R

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 :: 75 mg/kg

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

REFERENCE :: MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 13,325,1965

HS Code	2933990090

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%

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: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

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: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat

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: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.