4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline

• ChemBase ID: 158001
• Molecular Formular: C21H21N3
• Molecular Mass: 315.41154
• Monoisotopic Mass: 315.17354769
• SMILES: Cc1cc(ccc1N)/C(=C\1/C=CC(=N)C=C1)/c1ccc(c(c1)C)N
• Canonical SMILES: N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(c(c2)C)N)/C=C1
• InChI: InChI=1S/C21H21N3/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17/h3-12,22H,23-24H2,1-2H3
• InChIKey: IMOKRVRFBCWWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
• IUPAC Traditional name: 4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
• Synonyms: Kinyoun’s carbol-Fuchsin; Carbol-Fuchsin solution according to Kinyoun; Kinyoun 石碳酸复红; 按照 Kinyoun 的石碳酸复红溶液

Database IDs

• MDL Number: MFCD00143924
• PubChem SID: 162252137
• PubChem CID: 5463952

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.723037
• LogD (pH = 7.4): 2.3209703
• Log P: 3.8412044
• Molar Refractivity: 126.0365 cm^3
• Polarizability: 38.032394 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 109.4 °F; 43 °C
• Density: 0.99 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-34-40-68
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H331-H341-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 3

Product Information

• Grade: for microscopy
• Compostion: fuchsin basic (certified stain; C.I. 42500), 3 % (w/w)
• Impurities: phenol

DETAILS

Sigma Aldrich - 21819

Other Notes
Stain used for the demonstration of tuberculosis bacteria1