[(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride

Modify Date: 2026-08-03 20:18:02

[(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride Structure
[(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride structure
 Common Name [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride
CAS Number 117983-27-4 Molecular Weight 257.71700
Density N/A Boiling Point 287.4ºC at 760mmHg
Molecular Formula C11H16ClN3O2 Melting Point N/A
MSDS N/A Flash Point 127.6ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point 287.4ºC at 760mmHg
Molecular Formula C11H16ClN3O2
Molecular Weight 257.71700
Flash Point 127.6ºC
Exact Mass 257.09300
PSA 48.52000
LogP 1.80000
Vapour Pressure 0.00249mmHg at 25°C
InChIKey DUNVBKPFFWLPTC-UHFFFAOYSA-N
SMILES C#CCC(C)OCn1cc[n+](C)c1C=NO.[Cl-]

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  3

DownStream  0

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Partition coefficient (logD7.6)
Source: ChEMBL
Target: N/A
External Id: CHEMBL630220
Name: Kinetic constant for the transformation of the [inhibited enzyme/oximate] complex to ...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL644934
Name: Kinetic constant for formation of the inhibited enzyme/oximate complex in human eryth...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL641015
Name: Significant protection against the lethal effects of soman, by administering compound...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL739704
Name: Number of surviving mice was calculated after the administration of 11.2 mg/kg of atr...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL879316
Name: Reversible inhibition of acetylcholinesterase (AChE) by 50 % in human erythrocytes
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL644118
Name: Number of surviving mice was calculated after the administration of 11.2 mg/kg of atr...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL739614
Name: Effective rate constant for reactivation of AchE in human erythrocytes
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL641363
Name: Ionization constant (pKa)
Source: ChEMBL
Target: N/A
External Id: CHEMBL632263
Name: Bimolecular rate constant for reactivation of AchE in human erythrocytes
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL641365
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  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: LogP of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is 1.80000.
Q: What is the Chinese name of 117983-27-4?
A: Chinese name of 117983-27-4 is 117983-27-4.
Q: What is the CAS number of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: CAS number of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is 117983-27-4.
Q: What is the boiling point of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: Boiling point of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is 287.4ºC at 760mmHg.
Q: What is the polar surface area (PSA) of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: Polar surface area (PSA) of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is 48.52000.
Q: What is the molecular weight of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: Molecular weight of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is 257.71700.
Q: What is the molecular formula of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: Molecular formula of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is C11H16ClN3O2.
Q: What is the English name of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: The English name of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride.
Q: What is the SMILES notation of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: SMILES notation of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride is C#CCC(C)OCn1cc[n+](C)c1C=NO.[Cl-].
Q: What are the upstream materials of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride?
A: Related upstream materials(CAS) of [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride: 117983-61-6;20062-62-8;2117-11-5.
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Chemsrc provides CAS#:117983-27-4 MSDS, density, melting point, boiling point, structure, etc. Its name is [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride>> amp version: [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride

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