ethane-1,2-diamine

• ChemBase编号: 103242
• 分子式: C2H8N2
• 平均质量: 60.09832
• 单一同位素质量: 60.06874827
• SMILES: NCCN
• Canonical SMILES: NCCN
• InChI: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
• InChIKey: PIICEJLVQHRZGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethane-1,2-diamine
• IUPAC系统名: Ethane-1,2-diamine
• IUPAC传统名: ethylenediamine
• 别名: 1,2-二氨基乙烷; 乙二胺; 乙二胺 溶液; Edamine; Ethylenediamine; 1,2-Diaminoethane; ETHYLENEDIAMINE; ETHYLENEDIAMINE ANHYDROUS, CERTIFIED GRADE; Ethylenediamine solution; 1,2-Ethanediamine

登记号

• CAS号: 107-15-3
• EC号: 203-468-6
• MDL号: MFCD00008204
• Beilstein号: 605263; 4123523
• 默克索引号: 143795
• PubChem SID: 162090553; 24894477; 24894428; 24845499; 24854432; 24865689; 24849054; 24894420; 24864357
• PubChem CID: 3301
• CHEBI ID: 30347
• CHEMBL: 816
• Chemspider ID: 13835550
• Gmelin ID: 1098
• KEGG ID: D01114
• 医学主题词(MeSH): ethylenediamine
• 美国药典/FDA物质标识码: 60V9STC53F
• 维基百科标题: Ethylenediamine

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• 摩尔折射率: 17.8686 cm^3
• 极化性: 7.4730473 Å^3
• 极化表面积: 52.04 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

• 溶解度: Soluble in water, alcohol. Slightly soluble in ether
• 外观: Colorless liquid
• 熔点: 8 °C; 8°C; 8.5 °C(lit.); 8-11°C
• 沸点: 116 °C at 1013 hPa; 116°C; 117-118°C; 118 °C(lit.)
• 闪点: 100.4 °F; 34 °C; 34°C (93.2°F); 38 °C (DIN 51755); 38 °C; 38°C(100°F); 93.2 °F
• 自燃点: 385°C (725°F); 400 °C (DIN 51794); 716 °F
• 密度: .902 g/cm^3 at 20 °C; 0.899; 0.899 g/mL at 25 °C(lit.); 0.90 g/cm^3^-1
• 折射率: 1.4565; n20/D 1.456; n20/D 1.4565(lit.); n20/D 1.457
• 蒸汽压: 1.3 kPa (at 20 °C); 10 mmHg ( 20 °C); 12 hPa at 20 °C
• 蒸汽密度: 2.07 (vs air); 2.1 (air = 1)
• 分配系数: -2.057
• 亨利常数: 5.8 mol Pa^-1 kg^-1
• 气味: Ammoniacal
• 热容: 172.59 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -1.8678–-1.8668 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -63.55–-62.47 kJ mol^-1
• 标准摩尔熵 (S^o298): 202.42 J K^-1 mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Air Sensitive
• RTECS编号: KH8575000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: 1604; UN1604
• 德国WGK号: 2
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2W
• 危险公开号: 10-21/22-34-42/43; R:10-21/22-34-42/43-53; R10, R21/22, R34, R42/43
• 安全公开号: 23-26-36/37/39-45; S:23-26-29-45-36/37/39; S:23-26-29-45-36/37/39-45; S1/2, S26, S36/37/39, S45
• 欧盟危险货物分类: CF1
• 欧盟危险识别号(EUHIN): 8A
• 美国ERG指导号: 132
• TSCA收录: 是
• 欧盟危险品索引: 612-006-00-6
• GHS危险品标识: GHS corrosion; GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS05; GHS07; GHS08
• GHS警示词: DANGER; Danger
• NFPA704:
  

  3

  3

  0
• 半数致死量: 1.2 g kg^-1 (oral, rat)
• 爆炸极限: 16 %; 2.7–16%
• GHS危险声明: 226, 302, 312, 314, 317, 334; H226-H302-H312-H314-H317-H334; H226-H302-H312-H315-H317-H318-H334; H334-H317-H314-H226-H302-H312
• GHS警示性声明: 261, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P342 + P311
• 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 1604 8/PG 2

药理学性质

• 相关基因信息: human ... FNTA(2339)

产品相关信息

• 纯度: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8% (GC); 75-80%; 99%
• 级别: absolute; analytical standard; for GC; puriss. p.a.; purum; ReagentPlus®; SAJ special grade; technical
• 适用性: meets USP testing specifications
• 燃烧残渣: ≤0.1%
• 蒸发残渣: ≤0.05%
• 杂质: ≤0.0005% Phosphorus (P); ≤0.5% water; ≤1% water
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; K: ≤0.005%; K: ≤20 mg/kg; Mg: ≤0.0005%; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Na: ≤0.005%; Na: ≤20 mg/kg; NH4+: ≤0.05%; Ni: ≤1 mg/kg; Pb: ≤0.001%; Pb: ≤1 mg/kg; Zn: ≤0.0005%; Zn: ≤1 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: redistillation
• 产品线: BioXtra
• 线性分子式: NH2CH2CH2NH2

详细说明

MP Biomedicals - 02151087

(1,2-Diaminoethane) Free Base Purity: 99% 1 ml = approx. 0.9 g

Sigma Aldrich - E1521

包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 15068

包装
1 L in glass bottle

Sigma Aldrich - 391085

包装
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - E1649

包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 240729

包装
5, 500 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - E26266

包装
1, 2.5 L in glass bottle
5, 100 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

参考文献

• The ethylenediamine complex of Cr²⁺ reduces aryl bromides to the hydrocarbons. For an example, see: Org. Synth. Coll., 6, 821 (1988).
• The Li derivative in excess amine is a strong base for the rearrangement of primary allylic alcohols to the isomeric aldehydes in high yield: J. Chem. Soc., Chem. Commun., 812 (1985).
• At high temperatures, reduces nitroarenes to azo-compounds. Reaction does not occur for nitro-compounds with o-substituents or p-amino-substituents: J. Org. Chem., 49, 1215 (1984).