4-[(E)-2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline

• ChemBase编号: 8440
• 分子式: C14H16N4
• 平均质量: 240.30364
• 单一同位素质量: 240.13749653
• SMILES: CN(C)c1ccc(cc1)/N=N/c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C
• InChI: InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+
• InChIKey: BVRIUXYMUSKBHG-WUKNDPDISA-N

名称和登记号

名称

• IUPAC标准名: 4-[(E)-2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline; 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline
• IUPAC传统名: C.I. disperse black 3; 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline
• 别名: N,N-二甲基-4,4-偶氮二苯胺; 4-氨基-4′-二甲氨基偶氮苯; p,p′-DMPA-苯胺; N,N-二甲基-4,4-偶氮二苯胺; N,N-Dimethyl-4,4'-azodianiline; 4-Amino-4′-(dimethylamino)azobenzene; p,p′-DMPA-aniline; p,p′-Dimapa-aniline; Disperse Black 3; 4-(4-Dimethylaminophenylazo)aniline; 4-Amino-4′-dimethylaminoazobenzene; N,N-Dimethyl-4,4′-azodianiline; N,N-Dimethyl-4,4′-azodianiline; 4-(4-Dimethylaminophenylazo)aniline

登记号

• CAS号: 539-17-3
• EC号: 208-712-5
• MDL号: MFCD00010204
• Beilstein号: 748253
• PubChem SID: 24846109; 24863235; 160971747
• PubChem CID: 10872

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.6514132
• LogD (pH = 7.4): 3.6581707
• Log P: 3.6582575
• 摩尔折射率: 79.506 cm^3
• 极化性: 27.531908 Å^3
• 极化表面积: 53.98 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 189°C(dec); 190 °C (dec.)(lit.); 190-195 °C (dec.)

安全信息

• RTECS编号: BX5020000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (HPLC); 95%; 97%
• 级别: purum
• 线性分子式: (CH3)2NC6H4N=NC6H4NH2
• Empirical Formula (Hill Notation): C14H16N4

详细说明

Sigma Aldrich - 379298

包装
1 g in glass bottle

Sigma Aldrich - 07730

Other Notes
Chromogenic reagent for labeling carboxylic groups in peptides.; Derivatized peptides can be separated chromatographically1,2