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

• ChemBase编号: 74296
• 分子式: C7H16N2
• 平均质量: 128.21534
• 单一同位素质量: 128.13134852
• SMILES: N1(CCCCC1)CCN
• Canonical SMILES: NCCN1CCCCC1
• InChI: InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
• InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(piperidin-1-yl)ethan-1-amine
• IUPAC传统名: 2-(piperidin-1-yl)ethanamine
• 别名: 1-(2-氨乙基)哌啶; 1-哌啶乙胺; 1-(2-氨基乙基)哌啶; 1-Piperidineethylamine; 2-(1-Piperidinyl)ethylamine; (2-piperidin-1-ylethyl)amine; 2-Piperidinoethylamine 98%; N-(2-AMINOETHYL)PIPERIDINE; 2-Piperidinoethylamine; 1-(2-Aminoethyl)piperidine

登记号

• CAS号: 27578-60-5
• EC号: 248-540-8
• MDL号: MFCD00006516
• Beilstein号: 103469
• PubChem SID: 24848506; 162039215
• PubChem CID: 33944

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.588164
• LogD (pH = 7.4): -2.294534
• Log P: 0.24355179
• 摩尔折射率: 40.0799 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

• 沸点: 184-186°C; 185-186°C; 186 °C(lit.)
• 闪点: 136.4 °F; 57°C(134°F); 58 °C
• 密度: 0.899 g/mL at 25 °C(lit.); 0.903
• 折射率: 1.4740; n20/D 1.473(lit.)

安全信息

• 保存注意事项: Air Sensitive; Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2734; UN2733
• 德国WGK号: 3
• 联合国危险货物等级: 3; 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: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314; H314-H318-H226
• GHS警示性声明: P210-P241-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 2734 8/PG 2

产品相关信息

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

详细说明

MP Biomedicals - 05205455

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 141666

包装
5, 10 g in glass bottle
Application
Reactant for synthesis of: Analogs of anticancer agents1 Inhibitor of Botulinum Neurotoxin Serotype A light Chain, P. falciparum Malaria, and Ebola Filovirus2 Cannabinoid CB1 receptor antagonists3 Small molecules that restore E-cadherin expression and reduve invasion in colorectal carcinoma cells4 Potent and selective 5-HT6 antagonists5 N-mustards as anticancer agents6