2-(1-methylpyrrolidin-2-yl)ethan-1-amine

• ChemBase编号: 145904
• 分子式: C7H16N2
• 平均质量: 128.21534
• 单一同位素质量: 128.13134852
• SMILES: CN1CCCC1CCN
• Canonical SMILES: NCCC1CCCN1C
• InChI: InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
• InChIKey: PNHGJPJOMCXSKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1-methylpyrrolidin-2-yl)ethan-1-amine
• IUPAC传统名: 2-(1-methylpyrrolidin-2-yl)ethanamine
• 别名: N-甲基-2-(2-氨乙基)-吡咯烷; 2-(2-Aminoethyl)-1-methylpyrrolidine; 1-Methyl-2-pyrrolidineethanamine; 2-(1-Methyl-2-pyrrolidinyl)ethanamine; 2-(1-Methyl-2-pyrrolidinyl)ethylamine; 2-(1-Methylpyrrolidin-2-yl)ethylamine; 2-(N-Methylpyrrolidin-2-yl)ethylamine; N-Methyl-2-(2-aminoethyl)pyrrolidine; NSC 118052; 2-(2-Aminoethyl)-1-methylpyrrolidine

登记号

• CAS号: 51387-90-7
• EC号: 257-169-0
• MDL号: MFCD00003175
• PubChem SID: 24848416; 162240104
• PubChem CID: 98388

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -6.3285217
• LogD (pH = 7.4): -4.422609
• Log P: -0.081290066
• 摩尔折射率: 40.0145 cm^3
• 极化性: 15.965017 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 149 °F; 65 °C
• 密度: 0.885 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.4684(lit.)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-37/38-41
• 安全公开号: 26-39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C7H16N2

详细说明

Sigma Aldrich - 139505

包装
1, 5 g in glass bottle

Toronto Research Chemicals - A609185

2-(2-Aminoethyl)-1-methylpyrrolidine is used as an electrochemiluminescence probe within microfluidic chip for ECL detection. 2-(2-Aminoethyl)-1-methylpyrrolidine is also used in chemical microarrays to identify ligands that bind pathogenic cells.

参考文献

• Yin, X._B. et al.: J. Chrom. A, 1091, 158 (2005)
• Barrett, O.J. et al.: ChemBioChem, 7, 1882 (2005)