1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

• ChemBase编号: 143705
• 分子式: C14H20N2
• 平均质量: 216.322
• 单一同位素质量: 216.16264865
• SMILES: c1ccc2c(c1)CCC(C2)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-4,14-15H,5-11H2
• InChIKey: KEFHPVYDYSDBRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC传统名: 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• 别名: 1-(1,2,3,4-Tetrahydronaphthalen-2-yl)piperazine; 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

登记号

• CAS号: 1900-04-5
• MDL号: MFCD05864539
• PubChem SID: 162237922
• PubChem CID: 3596803

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1045239
• LogD (pH = 7.4): 0.028363604
• Log P: 2.2115996
• 摩尔折射率: 67.6919 cm^3
• 极化性: 26.544228 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• Empirical Formula (Hill Notation): C14H20N2

详细说明

Sigma Aldrich - CBR00530

Other Notes
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