1-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase编号: 105929
• 分子式: C16H14N2O4
• 平均质量: 298.29336
• 单一同位素质量: 298.09535694
• SMILES: CN(C)c1ccc2c(C)c(N3C(=O)C=CC3=O)c(=O)oc2c1
• Canonical SMILES: O=C1C=CC(=O)N1c1c(=O)oc2c(c1C)ccc(c2)N(C)C
• InChI: InChI=1S/C16H14N2O4/c1-9-11-5-4-10(17(2)3)8-12(11)22-16(21)15(9)18-13(19)6-7-14(18)20/h4-8H,1-3H3
• InChIKey: ADEORFBTPGKHRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC传统名: 1-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]pyrrole-2,5-dione
• 别名: N-(7-二甲氨基-4-甲基-3-香豆素基)马来酰亚胺; DACM-3; N-(7-Dimethylamino-4-methyl-3-coumarinyl)maleimide; DACM; N-(7-DIMETHYLAMINO-4-METHYL-3-COUMARINYL) MALEIMIDE

登记号

• CAS号: 55145-14-7
• EC号: 259-499-0
• MDL号: MFCD00006863
• Beilstein号: 1545346
• PubChem SID: 162092683
• PubChem CID: 93302

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5176839
• LogD (pH = 7.4): 1.5199953
• Log P: 1.5200248
• 摩尔折射率: 82.2134 cm^3
• 极化性: 30.072344 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 218-220 °C(lit.)

安全信息

• 保存条件: 2-8°C, Desiccate, Protect from light
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 37/38
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H335
• GHS警示性声明: P261
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C16H14N2O4

详细说明

MP Biomedicals - 02195145

Crystalline
A fluorescent probe that has a fluorescent spectrum at higher wave-length and better water solubility than the Dansyl-group.

Sigma Aldrich - 285641

包装
1 mg in glass bottle