1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride

• ChemBase编号: 24034
• 分子式: C9H15ClN2
• 平均质量: 186.6818
• 单一同位素质量: 186.09237617
• SMILES: c12n(ccc1)CCNC2CC.Cl
• Canonical SMILES: CCC1NCCn2c1ccc2.Cl
• InChI: InChI=1S/C9H14N2.ClH/c1-2-8-9-4-3-6-11(9)7-5-10-8;/h3-4,6,8,10H,2,5,7H2,1H3;1H
• InChIKey: ZDICMKBDJFJAHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride
• IUPAC传统名: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride
• 别名: 1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine hydrochloride; 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride; 1-Ethyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine hydrochloride

登记号

• MDL号: MFCD07781050
• PubChem SID: 160987341
• PubChem CID: 46735942

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.2881336
• LogD (pH = 7.4): 0.38232553
• Log P: 1.5227284
• 摩尔折射率: 45.8128 cm^3
• 极化性: 17.96882 Å^3
• 极化表面积: 16.96 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

• 疏水性(logP): 1.495

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C9H15ClN2

详细说明

Sigma Aldrich - CBR00757

Other Notes
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