185167

3-(苄氨基)丙腈

97%

• 线性分子式: C₆H₅CH₂NHCH₂CH₂CN
• CAS号: 706-03-6
• 分子量: 160.22
• EC號碼: 211-890-7
• MDL號碼: MFCD00001955
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24850672

属性

• 化驗: 97%
• 折射率: n20/D 1.5308 (lit.)
• 密度: 1.024 g/mL at 25 °C (lit.)
• 官能基: amine; nitrile; phenyl
• SMILES 字串: N#CCCNCc1ccccc1
• InChI: 1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2
• InChI 密鑰: MWTGBAURSCEGSL-UHFFFAOYSA-N

说明

一般說明

3-(Benzylamino)propionitrile undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions[1].

應用

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:

• (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds[2]
• 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester[1]
• 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile[3]

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H302 + H312 + H332,H315,H319,H335
• 防範說明: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 危險分類: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 10 - Combustible liquids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 235.4 °F - closed cup
• 閃點（°C）: 113 °C - closed cup
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter