1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid

• ChemBase编号: 39491
• 分子式: C21H21NO4
• 平均质量: 351.39574
• 单一同位素质量: 351.14705816
• SMILES: C1CN(C(CC1)C(=O)O)C(=O)OCC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: OC(=O)C1CCCCN1C(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24)
• InChIKey: CKLAZLINARHOTG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
• IUPAC传统名: 1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
• 别名: Fmoc-DL-哌啶甲酸; N-Fmoc-哌啶-2-甲酸; Fmoc-(RS)-piperidine-2-carboxylic acid; (±)-1-Fmoc-piperidine-2-carboxylic acid; Fmoc-DL-Pip-OH; N-Fmoc-DL-pipecolic acid; 1,2-Piperidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester; Fmoc-DL-pipecolic acid; N-Fmoc-piperidine-2-carboxylic acid

登记号

• CAS号: 105751-19-7
• MDL号: MFCD01823265
• PubChem SID: 161002798
• PubChem CID: 3790985

理论计算性质

• Acid pKa: 3.8114028
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.0713682
• LogD (pH = 7.4): 0.5054425
• Log P: 3.7625513
• 摩尔折射率: 96.8672 cm^3
• 极化性: 38.790695 Å^3
• 极化表面积: 66.84 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 113-120 °C; 113-121°C

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077; UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 36/37/38-50/53; 50/53
• 安全公开号: 26-37-57-60; 60-61
• TSCA收录: false; 否
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335-H400-H410; H400
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501; P273
• RID/ADR: UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 96+%; 97%
• Empirical Formula (Hill Notation): C21H21NO4

详细说明

Sigma Aldrich - 706477

包装
1, 5 g in glass bottle
Application
Reactant for racemic solid-phase preparation of human protease activated receptor 2 agonists and antagonists1Analyte for urea-linked cinchona-calexarene hybrid type receptors for chromatographic enantiomer separation of carbamate-protected amino acids2Combinatorial reactant for assembly of alkylglycine library arrays by SPOT technique on cellulose membranes for identification of micromolar ligands for monoclonal antibodies3