[(tert-butylimino)methylidene](ethyl)amine

• ChemBase编号: 145027
• 分子式: C7H14N2
• 平均质量: 126.19946
• 单一同位素质量: 126.11569846
• SMILES: CCN=C=NC(C)(C)C
• Canonical SMILES: CCN=C=NC(C)(C)C
• InChI: InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
• InChIKey: AXTNYCDVWRSOCU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(tert-butylimino)methylidene](ethyl)amine
• IUPAC传统名: [(tert-butylimino)methylidene](ethyl)amine
• 别名: 1-叔丁基-3-乙基碳二亚胺; N-(Ethylcarbonimidoyl)-2-methyl-2-propanamine; 1-tert-Butyl-3-ethylcarbodiimide

登记号

• CAS号: 1433-27-8
• MDL号: MFCD00209556
• PubChem SID: 24866701; 162239237
• PubChem CID: 4594009

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.6028606
• LogD (pH = 7.4): 1.6044651
• Log P: 1.6044856
• 摩尔折射率: 38.8462 cm^3
• 极化性: 14.769711 Å^3
• 极化表面积: 24.72 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: 137-139 °C(lit.)
• 闪点: 34 °C; 93.2 °F
• 密度: 0.814 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.432(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 10-36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P261-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 1993 3/PG 3

药理学性质

• 相关基因信息: human ... EPHX2(2053)mouse ... Ephx2(13850)

产品相关信息

• 纯度: 99%
• 线性分子式: (CH3)3CN=C=NC2H5

详细说明

Sigma Aldrich - 426393

包装
1, 5 g in glass bottle
Application
Reactant for:
• Guanylation of amines1
• Synthesis of tantalum dimethylamido diamidato and guanidinato complexes for CVD of nitride thin films2
• Preparation of titanium amidinate guanidinate alkylamide complex precursors for HfO2 films3
• Ketene cycloadditions4
• Hydroamination of carbodiimides using group-2-element amides as precatalysts5
• Synthesis of cobalt amidinato derivative complexes for studies involving thermal stability, vapro pressure, vaporization rate and thermal decomposition properties6