(piperidin-2-yl)methanamine

• ChemBase编号: 76930
• 分子式: C6H14N2
• 平均质量: 114.18876
• 单一同位素质量: 114.11569846
• SMILES: N1CCCCC1CN
• Canonical SMILES: NCC1CCCCN1
• InChI: InChI=1S/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2
• InChIKey: RHPBLLCTOLJFPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (piperidin-2-yl)methanamine; piperidin-2-ylmethanamine
• IUPAC传统名: piperidin-2-ylmethanamine
• 别名: 2-氨甲基哌啶; 2-(氨甲基)哌啶; 2-Piperidinemethanamine; 2-(Aminomethyl)piperidine; 2-Piperidinemethylamine; 2-PiperidylMethylaMine; 1-(Piperidin-2-yl)methylamine; 2-(Aminomethyl)piperidine

登记号

• CAS号: 22990-77-8
• EC号: 245-371-1
• MDL号: MFCD00129011
• Beilstein号: 102994
• PubChem SID: 162041829; 24884207
• PubChem CID: 90865

理论计算性质

• Log P: -0.07972908
• 摩尔折射率: 34.4554 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
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.9061584
• LogD (pH = 7.4): -2.8531988

分子性质

理化性质

• 沸点: 63-66°C/12mm
• 闪点: 154.4 °F; 68 °C; 68°C(154°F)
• 密度: 0.9406 g/mL at 25 °C; 0.942
• 折射率: 1.4850; n20/D 1.4854

安全信息

• 保存注意事项: Corrosive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735; UN2735
• 德国WGK号: 2
• 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: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C6H14N2

详细说明

Sigma Aldrich - 656518

包装
25 g in glass bottle
Application
Reactant for reversible aminal formation1Reactant for synthesis of:
• Annulated N-heterocyclic carbene ligands2
• M3 Muscarinic receptor antagonists3
• Selective 5-ht5A receptor antagonists4
• Ternary platinum(II) complexes5