1-Ethyl-2,3-dimethyl-3-imidazolium Chloride - CAS 92507-97-6

Catalog:	BB040545
Product Name:	1-Ethyl-2,3-dimethyl-3-imidazolium Chloride
CAS:	92507-97-6
Synonyms:	1-ethyl-2,3-dimethylimidazol-3-ium;chloride; 1-ethyl-2,3-dimethylimidazol-3-ium;chloride

Technical Data

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Computed Properties

IUPAC Name:	1-ethyl-2,3-dimethylimidazol-3-ium;chloride
Description:	1-Ethyl-2,3-dimethyl-3-imidazolium Chloride (CAS# 92507-97-6 ) is a useful research chemical.
Molecular Weight:	160.64
Molecular Formula:	C7H13ClN2
Canonical SMILES:	CCN1C=C[N+](=C1C)C.[Cl-]
InChI:	InChI=1S/C7H13N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h5-6H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:	NUJYCYLTUXYHQU-UHFFFAOYSA-M
MDL:	MFCD03093290
LogP:	-2.35510

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0767261
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.0767261
Rotatable Bond Count:	1
Topological Polar Surface Area:	8.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0