4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine

• ChemBase编号: 143957
• 分子式: C10H14ClN3O
• 平均质量: 227.69066
• 单一同位素质量: 227.08253976
• SMILES: CCc1cc(nc(n1)N1CCOCC1)Cl
• Canonical SMILES: CCc1cc(Cl)nc(n1)N1CCOCC1
• InChI: InChI=1S/C10H14ClN3O/c1-2-8-7-9(11)13-10(12-8)14-3-5-15-6-4-14/h7H,2-6H2,1H3
• InChIKey: QBLWJUZCFCIFMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine
• IUPAC传统名: 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine
• 别名: 4-(4-Chloro-6-ethylpyrimidin-2-yl)morpholine; 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine

登记号

• CAS号: 901586-60-5
• MDL号: MFCD08060016
• PubChem SID: 162238174
• PubChem CID: 17750885

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2693527
• LogD (pH = 7.4): 2.2741315
• Log P: 2.2741928
• 摩尔折射率: 61.2559 cm^3
• 极化性: 22.594234 Å^3
• 极化表面积: 38.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H14ClN3O

详细说明

Sigma Aldrich - CBR00388

Other Notes
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