1-エチル-3-tert-ブチルカルボジイミド

1-tert-Butyl-3-ethylcarbodiimide

HCID 4594009CAS 1433-27-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN=C=NC(C)(C)C
InChIKey: AXTNYCDVWRSOCU-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
単同位体質量: 126.11569845

名称と識別子

優先名称: 1-tert-Butyl-3-ethylcarbodiimide
IUPAC: N'-tert-butyl-N-ethylmethanediimine
現地名: 1-エチル-3-tert-ブチルカルボジイミド
英語名: 1-tert-Butyl-3-ethylcarbodiimide
分子式: C7H14N2
分子量: 126.2

名称と別名

1-tert-Butyl-3-ethylcarbodiimide1433-27-8DTXSID50404675RefChem:235397DTXCID20355529626-088-6MFCD00209556N/'-tert-butyl-N-ethylmethanediimineN-(Ethylcarbonimidoyl)-2-methyl-2-propanamine1-(tert-Butyl)-3-ethylcarbodiimideethyl dimethylethylcarbodiimideSCHEMBL531924

名称をさらに表示

1-エチル-3-tert-ブチルカルボジイミド1-tert-ブチル-3-エチルカルボジイミドN-tert-ブチル-N'-エチルカルボジイミドN-エチル-N'-(tert-ブチル)カルボジイミド1-Tert-Butyl-3 ethylcarbodimide1-Ethyl-3-tert-butylcarbodiimideN-TERT-BUTYL-N'-ETHYLCARBODIIMIDEN-Ethyl-N'-(tert-butyl)carbodiimide1-tert-butyl-3-ethylcarbondisoamine1-tert-Butyl-3-ethylcarbodiiMide 99%2-Propanamine, N-(ethylcarbonimidoyl)-2-methyl-

1-t-butyl-3-ethylcarbodiimideAXTNYCDVWRSOCU-UHFFFAOYSA-NN-tert-Butyl-N'-ethylmethanediimineN\'-tert-butyl-N-ethylmethanediimineAKOS015909616FB455261-tert-Butyl-3-ethylcarbodiimide, 99%AS-85724

データベース識別子

CAS: 1433-27-8
PubChem CID: 4594009
DTXSID: DTXSID50404675
EC Number: 626-088-6
Nikkaji: J328.982F

物性

構造計算による物性

XLogP: 2.4
極性表面積: 24.7 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 124

物理化学的性質

沸点: 137 · 137-139 °C(lit.)
比重(密度): 0.814 g/mL · 0.814 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.432(lit.)
闪点: 94 °F · 94 °F
外見: liquid
主な用途: ペプチド合成
InChI: InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
InChIKey: AXTNYCDVWRSOCU-UHFFFAOYSA-N
SMILES: N(=C=NCC)C(C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用Reactant for: Guanylation of aminesSynthesis of tantalum dimethylamido diamidato and guanidinato complexes for CVD of nitride thin filmsPreparation of titanium amidinate guanidinate alkylamide complex precursors for HfO2 filmsKetene cycloadditionsHydroamination of carbodiimides using group-2-element amides as precatalystsSynthesis of cobalt amidinato derivative complexes for studies involving thermal stability, vapro pressure, vaporization rate and thermal decomposition properties

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