cycloheptylmethanamine

• ChemBase编号: 165176
• 分子式: C8H17N
• 平均质量: 127.22728
• 单一同位素质量: 127.13609955
• SMILES: C1CCC(CCC1)CN
• Canonical SMILES: NCC1CCCCCC1
• InChI: InChI=1S/C8H17N/c9-7-8-5-3-1-2-4-6-8/h8H,1-7,9H2
• InChIKey: CAOQEOHEZKVYOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cycloheptylmethanamine
• IUPAC传统名: cycloheptylmethanamine
• 别名: 环庚甲胺; Cycloheptanemethanamine Hydrochloride; Aminomethylcycloheptane Hydrochloride; Cycloheptylmethanamine Hydrochloride; Cycloheptylmethylamine; (Aminomethyl)cycloheptane; Cycloheptylmethylamine; Cycloheptanemethylamine; CycloheptylMethanaMine

登记号

• CAS号: 177352-26-0; 4448-77-5
• EC号: 224-692-0
• MDL号: MFCD00021674
• Beilstein号: 2958734
• PubChem SID: 162259309
• PubChem CID: 78194

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.0908965
• LogD (pH = 7.4): -0.6799881
• Log P: 1.9333931
• 摩尔折射率: 40.2648 cm^3
• 极化性: 16.292534 Å^3
• 极化表面积: 26.02 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

• 沸点: 98-101°C/35mm
• 闪点: 70°C(158°F)
• 密度: 0.884
• 折射率: 1.4740

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN2735
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): II
• 危险公开号: 34
• 安全公开号: 20-26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

产品相关信息

• 纯度: 97%; 98+%

详细说明

Toronto Research Chemicals - C987875

Used for the preparation of phenylcanthenes derivatives with allergy inhibiting activity. Also, it is used for the preparation of substituted imidazoquinolines, imidazonaphthyridines, and imidazopyridines for inducing cytokine biosynthesis.

参考文献

• Sjoerdsma, A., et al.: Clin. Pharmacol. Ther., 35, 287 (1984)
• Kwon, D., et al.: J. Biol. Chem., 272, 2429 (1984)
• Li, Z., et al.: Bioorg. Med. Chem. Lett., 11, 251 (1984)
• Lee, B., et al.: J. Med. Chem., 48, 7400 (1984)