N-(12-imino-12H-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride

• ChemBase ID: 158705
• Molecular Formular: C18H14ClN3O2
• Molecular Mass: 339.77566
• Monoisotopic Mass: 339.07745438
• SMILES: CC(=O)Nc1ccc2c(c1)oc1cc(=N)c3ccccc3c1n2.Cl
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)oc1c(n2)c2ccccc2c(=N)c1.Cl
• InChI: InChI=1S/C18H13N3O2.ClH/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15;/h2-9,19H,1H3,(H,20,22);1H
• InChIKey: CJHKAKZHZRBAGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(12-imino-12H-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(12-imino-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride
• Synonyms: Darrow Red; 达罗红

Database IDs

• CAS Number: 15391-59-0(freebase)
• MDL Number: MFCD00012672
• PubChem SID: 162252841; 24852713
• PubChem CID: 10382589

CALCULATED PROPERTIES

• Acid pKa: 13.963729
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1479628
• LogD (pH = 7.4): -0.8767033
• Log P: 2.262664
• Molar Refractivity: 102.4331 cm^3
• Polarizability: 32.548088 Å^3
• Polar Surface Area: 74.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 502 nm

Safety Information

• German water hazard class: 3

Product Information

• Grade: certified by the Biological Stain Commission
• Compostion: Dye content, ≥65%
• Empirical Formula (Hill Notation): C18H13N3O2

DETAILS

Sigma Aldrich - 211885

Packaging
25 g in glass bottle
Suitability
Certified for the staining of neuron cell bodies in paraffin or frozen sections of formalin fixed brain or spinal cord.