{4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}dimethyliminiumyl

• ChemBase ID: 111333
• Molecular Formular: C15H19N4
• Molecular Mass: 255.33816
• Monoisotopic Mass: 255.16097163
• SMILES: Cc1c(N)cc(N)c(c1)/N=C\1/C=CC(=[N](C)C)C=C1
• Canonical SMILES: Nc1cc(N)c(cc1/N=C/1\C=CC(=[N](C)C)C=C1)C
• InChI: InChI=1S/C15H19N4/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3/h4-9H,16-17H2,1-3H3
• InChIKey: OMSBEQUSMSDHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}dimethyliminiumyl
• IUPAC Traditional name: {4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}dimethyliminio
• Synonyms: TOLUYLENE BLUE

Database IDs

• CAS Number: 97-26-7
• PubChem SID: 162098110
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 97.2818 cm^3
• Polar Surface Area: 83.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false