piperidin-4-ylmethanamine

• ChemBase编号: 88944
• 分子式: C6H14N2
• 平均质量: 114.18876
• 单一同位素质量: 114.11569846
• SMILES: N1CCC(CC1)CN
• Canonical SMILES: NCC1CCNCC1
• InChI: InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
• InChIKey: LTEKQAPRXFBRNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperidin-4-ylmethanamine
• IUPAC传统名: 4-piperidinemethanamine
• 别名: 4-氨甲基哌啶; 4-Piperidinemethylamine; (Piperidin-4-yl)methylamine; 4-(Aminomethyl)piperidine; 4-Piperidinemethanamine; 4-AMP; 4-(Aminomethyl)piperidine

登记号

• CAS号: 7144-05-0
• EC号: 230-446-3
• MDL号: MFCD00006007
• Beilstein号: 471185
• PubChem SID: 162075830; 24891098
• PubChem CID: 23527

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -6.7760396
• LogD (pH = 7.4): -5.8900156
• Log P: -0.5210999
• 摩尔折射率: 34.8932 cm^3
• 极化性: 14.118806 Å^3
• 极化表面积: 38.05 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

• 熔点: 23-25°C; 25 °C(lit.); 25°C
• 沸点: 199-200°C; 200 °C(lit.); 200°C
• 闪点: 172.4 °F; 78 °C; 78°C; 79°C(174°F)
• 密度: 0.952
• 折射率: 1.4900; n20/D 1.49(lit.)

安全信息

• 保存注意事项: Air Sensitive; Corrosive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3259; UN3259
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

产品相关信息

• 纯度: 96%; 98+%
• Empirical Formula (Hill Notation): C6H14N2

详细说明

MP Biomedicals - 05204998

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A65158

包装
5, 25 g in glass bottle
Application
Reactant:
• Evaulated as a small molecule inhibitor of CD4-gp120 binding1Reagent
• Involved in solvothermal preparation of germanium oxide hydroxide 3D net zeotype2
• Involved in zeolite synthesis3,4Coupling agent for adhesive systems5

参考文献

• Reagent for rapid cleavage of the Fmoc group in peptide synthesis, particularly recommended in conjunction with Fmoc-protected acid chlorides as the active species: J. Org. Chem., 55, 721 (1990). See also Tris(2-aminoethyl)amine, B21789. See Appendix 6.