cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol

• ChemBase编号: 155412
• 分子式: C15H16N2O2
• 平均质量: 256.29974
• 单一同位素质量: 256.12117776
• SMILES: COc1ccc(cc1)C(c1cncnc1)(C1CC1)O
• Canonical SMILES: COc1ccc(cc1)C(c1cncnc1)(C1CC1)O
• InChI: InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
• InChIKey: HUTDUHSNJYTCAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
• IUPAC传统名: ancymidol
• 别名: α-Cyclopropyl-α-(4-methoxyphenyl)-5-pyrimidinemethanol; Ancymidol

登记号

• CAS号: 12771-68-5
• EC号: 235-814-7
• MDL号: MFCD00072501
• PubChem SID: 24891450; 162249550
• PubChem CID: 25572

理论计算性质

• Acid pKa: 12.836213
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.474565
• LogD (pH = 7.4): 1.4745792
• Log P: 1.474581
• 摩尔折射率: 72.3168 cm^3
• 极化性: 27.892761 Å^3
• 极化表面积: 55.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: UV9280000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 适用性: plant cell culture tested
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C15H16N2O2

详细说明

Sigma Aldrich - A9431

Biochem/physiol Actions
Ancymidol is a pyrimidine-class plant cell endocrine disruptor plant growth regulator that interferes with gibberellin and cellulose biosynthesis.