N-ブチルジエタノールアミン
N-Butyldiethanolamine
基本情報
- CAS
102-79-4- 標準SMILES
CCCCN(CCO)CCO- InChIKey
GVNHOISKXMSMPX-UHFFFAOYSA-N- 分子式
- C8H19NO2
- 平均分子量
- 161.24 g/mol
- 単同位体質量
- 161.14157885
名称と識別子
- 優先名称
- N-Butyldiethanolamine
- IUPAC
- 2-[butyl(2-hydroxyethyl)amino]ethanol
- 現地名
- N-ブチルジエタノールアミン
- 英語名
- 2,2'-(Butylimino)diethanol
- 分子式
- C8H19NO2
- 分子量
- 161.24
名称と別名
N-Butyldiethanolamine102-79-4ButyldiethanolamineEthanol, 2,2'-(butylimino)bis-2,2'-(Butylimino)diethanolButylbis(2-hydroxyethyl)amine2,2'-ButyliminodiethanolN,N-Bis(2-hydroxyethyl)butylamineN-Butyl-2,2'-iminodiethanolN-Butyl-N,N-bis(hydroxyethyl)amineEthanol, 2,2'-(butylimino)di-N-Butyl-N,N-bis(2-hydroxyethyl)amine
名称をさらに表示
N-ブチルジエタノールアミンN-ブチル-N,N-ジ(2-ヒドロキシエチル)アミン3-ブチル-3-アザペンタン-1,5-ジオールブチルジエタノールアミン2,2'-(ブチルイミノ)ビス(エタノール)2,2'-(ブチルイミノ)ビスエタノール2,2'-(ブチルイミノ)ジエタノールＮ－ブチル－Ｎ，Ｎ－ビス（ヒドロキシルエチル）アミンN-N-ブチル-2,2′-イミノジエタノールN-N-ブチルジエタノールアミンN,N-ビス(2-ヒドロキシエチル)ブチルアミンN‐N‐ブチル‐2,2′‐イミノジエタノールN-n-ブチルジエタノールアミン, 98%N-ブチル-2,2'-イミノジエタノ-ル1,1′-[イミノビス(エチレン)]ビス(3,5-ジメチル-1H-ピラゾール)ビス[2-(3,5-ジメチル-1H-ピラゾール-1-イル)エチル]アミン1,1′-イミノビス(エチレン)ビス(3,5-ジメチル-1H-ピラゾール)1,1′-(イミノビスエチレン)ビス(3,5-ジメチル-1H-ピラゾール)BIDEBDEATIMTEC-BBSBB00884ButyldiethanolaminTIMTEC-BB SBB008846Butlydiethanolamine2,2'-(Butylimino)diButylaminodiethanolButyliminodiethanol
butyl diethanolamine2,2'-(Butylimino)bisethanolNSC 60214Bis(beta-hydroxyethyl)butylamineDTXSID10443542-(N-Butyl-N-2-hydroxyethylamino)ethanolEINECS 203-055-0BRN 1739642
データベース識別子
- CAS
102-79-4- PubChem CID
- 7620
- DTXSID
DTXSID1044354- ChEMBL
CHEMBL3181802- UNII
- H963NLD48W
- EC Number
- 203-055-0
- Nikkaji
- J5.515H
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 43.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 72.5
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials PropertiesOptical coefficient
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless to pale yellow liquid with a mild odor; [Taminco MSDS]
Collision Cross Section136.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044354]
物理化学的性質
- 融点
- -70 °C · -70 °C (lit.)
- 沸点
- 273 · 273-275 °C/741 mmHg (lit.)
- 比重(密度)
- 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
- 蒸気密度
- 5.5 · 5.5 (vs air)
- 蒸気圧
- 1 mm · 1 mm Hg ( 25 °C)
- 屈折率
- 20 · n20/D 1.463(lit.)
- 闪点
- 260 °F · 260 °F
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H314 (20.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 310 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2,2'-(butylimino)bis-
Ethanol, 2,2'-(butylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(butylimino)bis- 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)
REACH registered substance: 2,2'-butyliminodiethanol (EC: 203-055-0)
Ethanol, 2,2'-(butylimino)bis-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanol, 2,2'-(butylimino)bis-: Environment tier I assessment
Hazards SummaryA mild skin irritant; Corrosive to eyes; No sensitization observed in experimental animals; [Taminco MSDS] See 2-N-Dibutylaminoethanol.
Hazard Classes and Categories
Skin Corr. 1B (20.6%)
Eye damage - category 1
安全データ
- wgk
- 1
- tsca
- TSCA listed
化学と産業
用途と製造
UsesUsed as an additive; [Taminco MSDS]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-(butylimino)bis-: ACTIVE
応用分野
用途有機合成原料。
使用N-Butyldiethanolamine (H2bdea, N-n-butyldiethanolamine) has been used in the synthesis of the following complexes (Hdnba = 3,5-dinitrobenzoic acid, Hpta = p-toluic acid, H2tpa = terephthalic acid):new mononuclear [Cu(Hbdea)2]·2Hdnba , dinuclear [Cu2(μ-Hbdea)2(N3)2] and [Cu2(μ-Hbdea)2(pta)2]·2H2O1D polymeric [Cu2(μ-Hbdea)2(μ-tpa)]n·2nH2O copper(II) compoundstetranuclear 3d-4f single-molecule magnet (SMM) complexes
一般的な説明N-Butyldiethanolamine (N-n-butyldiethanolamine) is a tertiary amine. It acts as an N-substituted diethanolamine ligand. It reacts with chromium(II) and lanthanide(III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) in the presence of coligands to afford three series of isostructural 1:1 3d(Cr(III))/4f(Ln(III)) coordination cluster compounds.
関連反応
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化合物ノート
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