1-(diazomethyl)(2H9)pyrene

• ChemBase编号: 135534
• 分子式: C17H10N2
• 平均质量: 242.2747
• 单一同位素质量: 242.08439833
• SMILES: c1cc2ccc3ccc(c4c3c2c(c1)cc4)C=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C17H10N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
• InChIKey: PEIBAWRLFPGPAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(diazomethyl)(^2H₉)pyrene
• IUPAC传统名: 1-(diazomethyl)(^2H₉)pyrene
• 别名: 1-芘基-d9-重氮甲烷; 1-Pyrenyl-d9-diazomethane

登记号

• MDL号: MFCD09842730
• PubChem SID: 162229808
• PubChem CID: 71309296

理论计算性质

• Acid pKa: 9.256811
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4880717
• LogD (pH = 7.4): 2.4867115
• Log P: 2.488089
• 摩尔折射率: 76.0066 cm^3
• 极化性: 33.039963 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 质量偏移: M+9

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 95% (CP)
• 同位素纯度: 97 atom % D
• Empirical Formula (Hill Notation): C17D9HN2

详细说明

Sigma Aldrich - 680273

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.