1-(pyridin-4-yl)ethan-1-amine

• ChemBase编号: 13531
• 分子式: C7H10N2
• 平均质量: 122.1677
• 单一同位素质量: 122.08439833
• SMILES: n1ccc(C(N)C)cc1
• Canonical SMILES: CC(c1ccncc1)N
• InChI: InChI=1S/C7H10N2/c1-6(8)7-2-4-9-5-3-7/h2-6H,8H2,1H3
• InChIKey: HIZMJYQEHFJWQY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(pyridin-4-yl)ethan-1-amine
• IUPAC传统名: 1-(pyridin-4-yl)ethanamine
• 别名: 1-(4-吡啶基)-乙基胺; 1-(4-吡啶基)乙胺; 4-(1-氨乙基)吡啶; 1-吡啶-乙基胺; (1-pyridin-4-ylethyl)amine; alpha-Methyl-4-pyridinemethylamine; 1-(4-Pyridyl)ethylamine; 1-pyridin-4-ylethanamine; 1-(Pyridin-4-yl)ethylamine; 4-(1-Aminoethyl)pyridine; 1-Pyridin-4-yl-ethylamine; 1-(4-Pyridyl)ethylamine; 1-Pyridin-4-yl-ethylamine; 4-(1-Aminoethyl)pyridine

登记号

• CAS号: 174132-32-2; 50392-78-4
• MDL号: MFCD02245004
• PubChem SID: 160976838
• PubChem CID: 247998

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.6926537
• LogD (pH = 7.4): -1.7596408
• Log P: 0.29791686
• 摩尔折射率: 36.7933 cm^3
• 极化性: 14.649602 Å^3
• 极化表面积: 38.91 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: 209 - 210°C
• 闪点: 104 °C; 104.4°C; 219.2 °F
• 密度: 1.019; 1.0190 g/mL at 25 °C
• 折射率: n20/D 1.5347
• 疏水性(logP): -0.094

安全信息

• 保存注意事项: Air Sensitive; IRRITANT; Toxic/Corrosive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T)
• 联合国危险货物编号: 2810; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 8
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 25-37/38-41; 34
• 安全公开号: 20-23-26-36/37/39-45; 26-39-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H318-H335; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P301 + P310-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
• RID/ADR: UN 2810 6.1/PG 3

产品相关信息

• 纯度: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C7H10N2

详细说明

Sigma Aldrich - 685747

包装
1 g in glass bottle
250 mg in glass bottle