5-ethyl-6-phenyl-5,6-dihydrophenanthridine-3,8-diamine

• ChemBase编号: 130849
• 分子式: C21H21N3
• 平均质量: 315.41154
• 单一同位素质量: 315.17354769
• SMILES: CCN1c2cc(ccc2c2ccc(cc2C1c1ccccc1)N)N
• Canonical SMILES: CCN1C(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2
• InChI: InChI=1S/C21H21N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,21H,2,22-23H2,1H3
• InChIKey: XYJODUBPWNZLML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-6-phenyl-5,6-dihydrophenanthridine-3,8-diamine
• IUPAC传统名: 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
• 别名: 2,7-Diamino-10-ethyl-9-phenyl-9,10-dihydrophenanthridine; 3,8-Diamino-5,6-dihydro-5-ethyl-6-phenylphenanthridine; Hydroethidine; Dihydroethidium

登记号

• CAS号: 104821-25-2
• MDL号: MFCD00077335
• Beilstein号: 5107482
• PubChem SID: 162225127; 24894069; 24863182
• PubChem CID: 128682

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.8771515
• LogD (pH = 7.4): 3.961764
• Log P: 3.9629385
• 摩尔折射率: 102.6096 cm^3
• 极化性: 39.195328 Å^3
• 极化表面积: 55.28 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

• 溶解度: acetonitrile: soluble; methanol: soluble
• 荧光: λex 358 nm; λem 461 nm; λex 392 nm; λem 410 nm in methanol

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95%; ≥95% (HPCE)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C21H21N3

详细说明

Sigma Aldrich - 37291

Application
Redox indicator. Blue fluorescence until oxidized to ethidium.1
Linkage
B-ring reduced analog of ethidium

Sigma Aldrich - D7008

Application
Redox indicator. Blue fluorescence until oxidized to ethidium.1
Linkage
B-ring reduced analog of ethidium
包装
Packaged under Argon.