1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride

Catalog Number	ACM141556458-2
CAS	141556-45-8
Structure
Synonyms	1,3-Dimesityl-1H-Imidazol-3-Ium Chloride; 1,3-Dimesitylimidazolium Chloride
IUPAC Name	1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
Molecular Weight	340.89
Molecular Formula	C21H25ClN2
Canonical SMILES	CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-];
InChI	OTOSIXGMLYKKOW-UHFFFAOYSA-M
InChI Key	InChI=1S/C21H25N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-13H,1-6H3;1H/q+1;/p-1
Melting Point	>300 °C-lit.
Purity	98%
Solubility	Soluble in methanol,slightly soluble in water.
Appearance	Off-white to yellow powder
Storage	room temperature
Complexity	335
Covalently-Bonded Unit Count	2
Exact Mass	340.171g/mol
Heavy Atom Count	24
Isomeric SMILES	CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
Monoisotopic Mass	340.171g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	8.8A^2

Q&A

What is the PubChem CID for 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

CID 2734211

What is the molecular formula of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

C21H25ClN2

What is the molecular weight of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

340.9 g/mol

What are some synonyms for 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

1,3-Dimesityl-1H-imidazol-3-ium chloride, 1,3-Dimesitylimidazolium Chloride, MFCD02684541

When was 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride created?

2005-07-19

What is the IUPAC name of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride

What is the Canonical SMILES representation of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C).[Cl-]

What is the InChIKey for 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride?

OTOSIXGMLYKKOW-UHFFFAOYSA-M

How many hydrogen bond acceptor counts does 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride have?

1

Is the compound canonicalized in PubChem?

Yes