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

Modify Date: 2025-08-25 23:24:50

[(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

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

 Chemical & Physical Properties

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-]

 Bioassay

View more

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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