Iodine Green

Base Information

• Chemical Name: Iodine Green
• CAS No.: 33231-00-4
• Molecular Formula: C27H35 N3 . 2 Cl
• Molecular Weight: 472.4929
• European Community (EC) Number: 251-412-4
• Wikidata: Q27162380
• ChEMBL ID: CHEMBL3391813
• Mol file: 33231-00-4.mol

Synonyms:Iodine Green;33231-00-4;EINECS 251-412-4;CHEBI:90179;NSC 8673;4-((4-(Dimethylamino)-m-tolyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N,N-trimethylanilinium dichloride;C27H35N3.2Cl;[4-[(E)-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride;C27-H35-N3.2Cl;4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride;CHEMBL3391813;C.I. 42556;Q27162380;(4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium dichloride

Chemical Property of Iodine Green

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 6.25000
• Density: g/cm³
• LogP: 1.90270
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 471.2208035
• Heavy Atom Count: 32
• Complexity: 725

Purity/Quality:

99% ^*data from raw suppliers

4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl}-N,N,N-trimethylbenzenaminiumdichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](C)(C)C)C=CC1=[N+](C)C.[Cl-].[Cl-]
• Isomeric SMILES: CC1=C/C(=C(\C2=CC=C(C=C2)N(C)C)/C3=CC=C(C=C3)[N+](C)(C)C)/C=CC1=[N+](C)C.[Cl-].[Cl-]