pyrrolidin-2-ylmethanol

• ChemBase编号: 69311
• 分子式: C5H11NO
• 平均质量: 101.14694
• 单一同位素质量: 101.08406398
• SMILES: C(O)C1NCCC1
• Canonical SMILES: OCC1CCCN1
• InChI: InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
• InChIKey: HVVNJUAVDAZWCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyrrolidin-2-ylmethanol
• IUPAC传统名: prolinol
• 别名: L-(+)-Prolinol; pyrrolidin-2-ylmethanol; Pyrrolidin-2-yl-methanol; Pyrrolidin-2-ylmethanol; 2-(Hydroxymethyl)pyrrolidine; 2-Pyrrolidinemethanol; 2-Hydroxymethylpyrrolidine; DL-Prolinol; NSC 367102; Prolinol; rac-Prolinol

登记号

• CAS号: 498-63-5; 23356-96-9
• MDL号: MFCD00601073; MFCD00005255
• PubChem SID: 162035038
• PubChem CID: 90908

理论计算性质

• Acid pKa: 15.121073
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.6555982
• LogD (pH = 7.4): -3.4277017
• Log P: -0.41741595
• 摩尔折射率: 28.1969 cm^3
• 极化性: 11.356206 Å^3
• 极化表面积: 32.26 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): -0.308

安全信息

• 保存注意事项: Harmful/Irritant; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 98%

详细说明

Toronto Research Chemicals - P756010

rac-Prolinol is an intermediate in the synthesis of Physostigmine and Physostigmine derivative used for treatment of Alzheimer's disease.

参考文献

• Pei-Pei, K., et al.: J. Med. Chem., 42, 4705 (1999)
• Siucak, J., et al.: Neuropharmacol., 51, 386 (1999)