9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole

• ChemBase编号: 158639
• 分子式: C22H21N3
• 平均质量: 327.42224
• 单一同位素质量: 327.17354769
• SMILES: CCn1c2ccccc2c2c1ccc(c2)/C=N/N(C)c1ccccc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)/C=N/N(c1ccccc1)C
• InChI: InChI=1S/C22H21N3/c1-3-25-21-12-8-7-11-19(21)20-15-17(13-14-22(20)25)16-23-24(2)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
• InChIKey: QYXUHIZLHNDFJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole
• IUPAC传统名: 9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]carbazole
• 别名: 9-Ethyl-3-carbazolecarboxaldehyde-N-methyl-N-phenylhydrazone

登记号

• CAS号: 75232-44-9
• EC号: 278-144-0
• MDL号: MFCD00799310
• PubChem SID: 24879030; 162252775
• PubChem CID: 9610378

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1724367
• LogD (pH = 7.4): 5.538267
• Log P: 5.545653
• 摩尔折射率: 115.2445 cm^3
• 极化性: 41.983063 Å^3
• 极化表面积: 20.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 129-133 °C(lit.)

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

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C22H21N3

详细说明

Sigma Aldrich - 548375

Application
Organic photoconductor. Charge transporting molecule for NLO applications.
包装
1 g in glass bottle