cyclohexanamine

• ChemBase编号: 103147
• 分子式: C6H13N
• 平均质量: 99.17412
• 单一同位素质量: 99.10479942
• SMILES: NC1CCCCC1
• Canonical SMILES: NC1CCCCC1
• InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
• InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclohexanamine
• IUPAC传统名: cyclohexylamine
• 别名: 氨基环己烷; 环己胺; Cyclohexylamine; Aminocyclohexane; Aminocylcohexane; Aminohexahydrobenzene; Cyclohexanamine; Hexahydroaniline; Hexahydrobenzenamine; CYCLOHEXYLAMINE

登记号

• CAS号: 108-91-8
• EC号: 203-629-0
• MDL号: MFCD00001486
• Beilstein号: 471175
• 默克索引号: 142729
• PubChem SID: 24891956; 24854426; 162090692
• PubChem CID: 7965
• CHEBI ID: 15773
• Chemspider ID: 7677
• KEGG ID: C00571
• 美国药典/FDA物质标识码: I6GH4W7AEG
• 维基百科标题: Cyclohexylamine

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8541405
• LogD (pH = 7.4): -1.5693852
• Log P: 1.1738117
• 摩尔折射率: 30.933 cm^3
• 极化性: 12.598926 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: clear to yellowish liquid
• 熔点: -17 °C(lit.); -17.7°C; -18 °C; -18°C
• 沸点: 133-134°C; 134 °C at 1013 hPa; 134 °C(lit.); 134.5°C
• 闪点: 26 °C (closed cup); 27 °C; 27°C(81°F); 28.6 °C; 80.6 °F
• 自燃点: 265 °C; 559 °F
• 密度: .819 g/cm^3 at 20 °C; 0.8647 g/cc; 0.867 g/mL at 25 °C(lit.); 0.868
• 折射率: 1.4585; n20/D 1.459; n20/D 1.459(lit.); n20/D 1.460
• 蒸汽压: 10 mmHg ( 22 °C); 14 hPa at 20 °C; 23 mmHg ( 37.7 °C)
• 蒸汽密度: 3.4 (air = 1); 3.42 (vs air)
• pKa: 10.64

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Air Sensitive
• RTECS编号: GX0700000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2357; UN2357
• 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; II
• 澳大利亚Hazchem: 2W
• 危险公开号: 10-21/22-34-62; R:10-21/22-34
• 安全公开号: 1/2-26-36/37/39-45; 26-36/37/39-45; S:45-36/37/39; S36 S37 S39
• 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
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  3

  0
• GHS危险声明: H226-H302-H312-H314-H361f; H314-H226-H361-H302-H312
• 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 2357 8/PG 2

产品相关信息

• 纯度: ≥99%; ≥99.0% (GC); ≥99.5% (GC); 98+%; 98-99%; 99%
• 级别: puriss.; purum; ReagentPlus®
• 杂质: ≤2% water
• 线性分子式: C6H11NH2

详细说明

MP Biomedicals - 02150745

Free Base
Purity: 98-99%
1 ml = 0.87 g

Sigma Aldrich - C104655

包装
1 L in glass bottle
18 L in steel drum
250 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 240648

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

参考文献

• For protection of an aldehyde as its cyclohexyl imine, see, e.g.: Org. Synth. Coll., 8, 586 (1993). Cyclohexyl imines of aldehydes have found use in the directed aldol synthesis: reaction with a less reactive ketone takes place in preference to self-condensation of the aldehyde. See, e.g.: Org. Synth. Coll., 6, 901 (1988):