3-[4-(dimethylamino)phenyl]prop-2-enal

• ChemBase编号: 78055
• 分子式: C11H13NO
• 平均质量: 175.22702
• 单一同位素质量: 175.09971404
• SMILES: N(c1ccc(cc1)/C=C/C=O)(C)C
• Canonical SMILES: O=C/C=C/c1ccc(cc1)N(C)C
• InChI: InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3
• InChIKey: RUKJCCIJLIMGEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[4-(dimethylamino)phenyl]prop-2-enal; (2E)-3-[4-(dimethylamino)phenyl]prop-2-enal
• IUPAC传统名: dmaca reagent
• 别名: 4-二甲氨基肉桂醛; DMACA; 4-(Dimethylamino)cinnamaldehyde; DMAC; 4-Dimethylaminocinnamaldehyde; p-Dimethylaminocinnamaldehyde; DMACA reagent; P-N,N-DIMETHYLAMINOCINNAMALDEHYDE; 3-[4-(Dimethylamino)phenyl]prop-2-enal; N,N-Dimethyl-4-(3-oxoprop-1-en-1-yl)aniline; 4-(Dimethylamino)cinnamaldehyde; 4-(Dimethylamino)-cinnamaldehyde solution; DMACA Reagent; 4-(Dimethylamino)cinnamaldehyde; p-DIMETHYLAMINOCINNAMALDEHYDE; 3-(4-(Dimethylamino)phenyl)acrylaldehyde; 4-Dimethylaminocinnamaldehyde

登记号

• CAS号: 6203-18-5
• EC号: 228-267-0
• MDL号: MFCD00007002
• Beilstein号: 972369; 2208002
• PubChem SID: 24893878; 162042889; 24864579; 24873183
• PubChem CID: 5284506
• Chemspider ID: 4447567
• 医学主题词(MeSH): 4-Dimethylaminocinnamaldehyde
• 维基百科标题: DMACA_reagent

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0152733
• LogD (pH = 7.4): 2.084555
• Log P: 2.0855138
• 摩尔折射率: 56.5631 cm^3
• 极化性: 20.591461 Å^3
• 极化表面积: 20.31 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

• 溶解度: chloroform/ethanol (1:1): soluble50 mg/mL, clear to very faintly turbid, yellow to deep red; dioxane, 50 g/L in water
• 外观: white to light yellow crystal powder
• 熔点: 135-137°C; 137-144°C; 138°C; 138-140 °C(lit.); 138-140°C; 138-141 °C
• 沸点: 329°C
• 密度: 1.057 g/mL

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Air & Light Sensitive; Irritant/Air Sensitive/Light Sensitive/Store at -20°C/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1789
• 德国WGK号: 2; 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 是
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Faceshields, Gloves, Goggles
• RID/ADR: UN 1789 8/PG 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (HPLC); 95+%; 98%
• 级别: for microbiology; purum
• 线性分子式: (CH3)2NC6H4CH=CHCHO
• Empirical Formula (Hill Notation): C11H13NO

详细说明

MP Biomedicals - 05209178

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150933

Crystalline
Reagent for detection of indole derivatives, particularly the assay of tryptophanase and apotryptophanase.
Turner, J.M., Biochem. J. , 78 : 790 (1961).

Sigma Aldrich - D4506

Application
Reagent for assay of indole product of apotryptophanase and tryptophanase.1 DMAC produces colored adducts with flavanols for subsequent HPLC.2,3 It has been used in a chromogenic method for quantifying proanthocyandines in cranberry powder.4,5

Sigma Aldrich - 49825

Components
Composition per 100 ml:Dimethylaminocinnamaldehye 1 gHydrochloric acid (concentrated) 1.0 mldistilled water 99.0 ml
Application
Used to determine the ability of an organism to split indole from the tryptophan molecule.
Other Notes
Reagent for the rapid identification of Streptococci.1,2

Sigma Aldrich - 39421

Other Notes
Reagent for the determination of aromatic amines2; e.g. PABA1