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

• ChemBase编号: 108538
• 分子式: C17H22ClN3
• 平均质量: 303.82968
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride
• IUPAC传统名: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride; auramine hydrochloride
• 别名: 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

登记号

• CAS号: 2465-27-2
• EC号: 219-567-2
• MDL号: MFCD00012484
• Beilstein号: 4030061
• PubChem SID: 24891484; 24888527; 162094459
• PubChem CID: 17170
• Chemspider ID: 16254
• 维基百科标题: Auramine_O
• Color Index Number: 41000

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.49521518
• LogD (pH = 7.4): 2.050234
• Log P: 3.661348
• 摩尔折射率: 97.9627 cm^3
• 极化性: 32.154728 Å^3
• 极化表面积: 30.33 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >250 °C (dec.)(lit.); 267 °C; 286 - 288°C
• 紫外吸收波长: λmax 370 nm; λmax 434 nm (2nd)
• 疏水性(logP): 0.0

安全信息

• RTECS编号: BY3675000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-24-40; R:45-36/37/38; R22 R24 R40
• 安全公开号: 36/37-45; S:28-29-36/37/39-45-53; S36/37 S45
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H311-H351
• GHS警示性声明: P280-P312
• 个人保护装置: 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

产品相关信息

• 纯度: 95%
• 级别: certified by the Biological Stain Commission; for microscopy (Bact., Bot., Fl., Hist.)
• 主要成分: Dye content, ≥80%; Dye content, 85%
• 品质说明: for the detection of Pb
• Empirical Formula (Hill Notation): C17H21N3 · HCl

详细说明

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

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 - 11340

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