基本情報
- CAS
74654-07-2- 標準SMILES
COCCOCCOCCN- InChIKey
OKUWOEKJQRUMBW-UHFFFAOYSA-N- 分子式
- C7H17NO3
- 平均分子量
- 163.21 g/mol
- 単同位体質量
- 163.1208434
名称と識別子
- 優先名称
- 2-(2-(2-Methoxyethoxy)ethoxy)ethylamine
- IUPAC
- 2-[2-(2-methoxyethoxy)ethoxy]ethanamine
- 現地名
- 2-[2-(2-メトキシエトキシ)エトキシ]エタンアミン
- 英語名
- 2-[2-(2-methoxyethoxy)ethoxy]ethylamine
- 分子式
- C7H17NO3
- 分子量
- 163.21
名称と別名
名称をさらに表示
データベース識別子
- CAS
74654-07-2- PubChem CID
- 3018531
- DTXSID
DTXSID30996169- EC Number
- 277-952-0
- Nikkaji
- J349.443H
物性
構造計算による物性
- XLogP
- -1.3
- 極性表面積
- 53.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 70
物理化学的性質
- 沸点
- 106 ℃ · 106℃ (11 Torr)
- 比重(密度)
- 0.978 · 0.978±0.06 g/cm3(Predicted)
- 屈折率
- 1.4395 · 1.4395 (589.3 nm 20℃)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Soluble in Water, DMSO, DCM, DMF
- 外見
- Oil
- 酸解離定数(Pka)
- 8.74 · 8.74±0.10(Predicted)
- 色
- Colorless to light yellow
- InChI
- InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3
- InChIKey
- OKUWOEKJQRUMBW-UHFFFAOYSA-N
- SMILES
- C(N)COCCOCCOC
安全と法規制
GHS分類
GHS Classification
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- wgk
- WGK 3
- hs_code
- 2922190090
- ストレージクラス
- 10 - Combustible liquids
化学と産業
応用分野
使用m-PEG3-amine whose chemical name 2-[2-(2-methoxyethoxy)ethoxy]ethylamine,it is a PROTAC bridge, belonging to the PEG class, which can be used to synthesize a series of PROTAC molecules, and can also be used for the synthesis of antibody drug conjugates (ADCs).
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
読み込み中…