4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride

• ChemBase ID: 108538
• Molecular Formular: C17H22ClN3
• Molecular Mass: 303.82968
• Monoisotopic Mass: 303.1502254
• SMILES: Cl.CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C.Cl
• InChI: InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
• InChIKey: KSCQDDRPFHTIRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride
• IUPAC Traditional name: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride; auramine hydrochloride
• Synonyms: AURAMINE O; 4,4′-(Imidocarbonyl)bis(N,N-dimethylaniline) monohydrochloride; Basic Yellow 2; Pyoctaninum aureum; Auramine O; Basic yellow 2, Pyocatanium aureum; aizen auraminm; Pyoktanin Yellom; Canary Yellom; Pyoktanim; or C.I. 41000; 4-{[4-(dimethylamino)phenyl]carboximidoyl}-N,N-dimethylaniline hydrochloride

Database IDs

• CAS Number: 2465-27-2
• EC Number: 219-567-2
• MDL Number: MFCD00012484
• Beilstein Number: 4030061
• PubChem SID: 24888527; 24891484; 162094459
• PubChem CID: 17170
• Chemspider ID: 16254
• Wikipedia Title: Auramine_O
• Color Index Number: 41000

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.49521518
• LogD (pH = 7.4): 2.050234
• Log P: 3.661348
• Molar Refractivity: 97.9627 cm^3
• Polarizability: 32.154728 Å^3
• Polar Surface Area: 30.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >250 °C (dec.)(lit.); 267 °C; 286 - 288°C
• Absorption Wavelength: λmax 370 nm; λmax 434 nm (2nd)
• Hydrophobicity(logP): 0.0

Safety Information

• RTECS: BY3675000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-24-40; R:45-36/37/38; R22 R24 R40
• Safety Statements: 36/37-45; S:28-29-36/37/39-45-53; S36/37 S45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H351
• GHS Precautionary statements: P280-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95%
• Grade: certified by the Biological Stain Commission; for microscopy (Bact., Bot., Fl., Hist.)
• Compostion: Dye content, ≥80%; Dye content, 85%
• Quality: for the detection of Pb
• Empirical Formula (Hill Notation): C17H21N3 · HCl

DETAILS

MP Biomedicals - 05207741

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A9655

包装
25 g in glass bottle
Suitability
Certified for use by fluorescence microscopy in Churukian′s modification of Truant′s fluorescent method for acid fast bacilli on paraffin sections.

Sigma Aldrich - 861030

Packaging
25 g in glass bottle
Suitability
Certified for use by fluorescence microscopy in Churukian′s modification of Truant′s fluorescent method for acid fast bacilli on paraffin sections.

Sigma Aldrich - 11340

Other Notes
Non-competitive inhibitor of horse liver alcohol dehydrogenase (specific fluorescent complex formation)1; Fluorescence of free and protein-bound auramine O2.