基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCO- InChIKey
KWTFEBYZFYIHFO-UHFFFAOYSA-N- 分子式
- C22H46N2O2
- 平均分子量
- 370.6 g/mol
- 単同位体質量
- 370.35592871
名称と識別子
- 優先名称
- N-(2-((2-hydroxyethyl)amino)ethyl)stearamide
- IUPAC
- N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
- 現地名
- N-[2-[(2-ヒドロキシエチル)アミノ]エチル]オクタデカンアミド
- 英語名
- N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide
- 分子式
- C22H46N2O2
- 分子量
- 370.61
名称と別名
名称をさらに表示
データベース識別子
- CAS
141-21-9- PubChem CID
- 8838
- DTXSID
DTXSID9059703- UNII
- 8XMG7HCY8D
- EC Number
- 205-469-7
- Nikkaji
- J111.737H
物性
構造計算による物性
- XLogP
- 6.8
- 極性表面積
- 61.4 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 21
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 285
実験および物理化学的性質
物理化学的性質
- 化粧品成分の機能
- 界面活性剤 - 乳化剤帯電防止
- InChI
- InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)
- InChIKey
- KWTFEBYZFYIHFO-UHFFFAOYSA-N
- SMILES
- C(NCCNCCO)(=O)CCCCCCCCCCCCCCCCC
- LogP
- 6.161 · 6.161 (est)
- EPAの化学物質情報
- 2 · Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- (141-21-9)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.
Danger
H315 (70%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-
Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Octadecanamide, N-2-(2-hydroxyethyl)aminoethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 141-21-9(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-: ACTIVE
調製方法
製造方法Octadecanic acid (0.05 mol), N-(2-hydroxyethyl)ethylenediamine (6.76 g, 0.065 mol), and xylene (30 ml) were added to the three-neck bottle. Let the reaction solution reflux at 140 °C with stirring. After about 4 h, no more water flows out of the water separator to stop the reaction and obtain the product.
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補足説明
定義本品は、次の化学式で表されるアミドアミンである。
関連反応
関連ノート
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