1,1'-[[2-[(2-ヒドロキシエチル)(2-ヒドロキシプロピル)アミノ]エチル]イミノ]ビス(2-プロパノール)

2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-

HCID 95623CAS 139-90-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(O)CN(CCO)CCN(CC(C)O)CC(C)O
InChIKey: VUTCGUXQNADIRX-UHFFFAOYSA-N
分子式: C13H30N2O4
平均分子量: 278.39 g/mol

名称と識別子

優先名称: 2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-
IUPAC: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxyethyl)amino]propan-2-ol
現地名: 1,1'-[[2-[(2-ヒドロキシエチル)(2-ヒドロキシプロピル)アミノ]エチル]イミノ]ビス(2-プロパノール)
英語名: 1,1'-(2-(N-2-hydroxyethyl-2-hydroxypropylamino)ethylimino)dipropan-2-ol
分子式: C13H30N2O4
分子量: 278.39

名称と別名

EINECS 205-382-4NSC 239662-Propanol, 1,1'-((2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)imino)bis-DTXSID708614882-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-1,1'-(2-(N-2-Hydroxyethyl-2-hydroxypropylamino)ethylimino)dipropan-2-ol2-Propanol, 1,1'-((2-((2-hydroxyethyl)(2-hydroxypropy)amino)ethyl)imino)bis-2-Propanol, 1,1'-((2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)imino)di-RefChem:478370DTXCID001973882-Propanol, 1,1'-((2-((2-hydroxyethyl)(2-hydroxypropy)amino)ethyl)imino)bis-(9CI)2-Propanol, 1,1'-((2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)imino)di-(8CI)

名称をさらに表示

1,1'-[[2-[(2-ヒドロキシエチル)(2-ヒドロキシプロピル)アミノ]エチル]イミノ]ビス(2-プロパノール)1,1'-[[2-[(2-Hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis(2-propanol)

205-382-4Nalco L-699139-90-21,1'-({2-[(2-Hydroxyethyl)(2-hydroxypropyl)amino]ethyl}azanediyl)di(propan-2-ol)NSC239661-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxyethyl)amino]propan-2-olSCHEMBL344219DTXSID60275934

データベース識別子

CAS: 139-90-2、845526-22-9
PubChem CID: 95623
DTXSID: DTXSID60275934
EC Number: 205-382-4
Nikkaji: J184.421K

物性

構造計算による物性

XLogP: -1.1
極性表面積: 87.4 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 11
重原子数: 19
形式電荷: 0
複雑度: 209

物理化学的性質

融点: 280 °C · 280 °C (decomp)(Solvent: Acetonitrile)
沸点: 358.556 · 358.556±9.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.119 · 1.119±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸解離定数(Pka): 14.53 · 14.530±0.20(predicted)
EPAの化学物質情報: 2 · 2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis- (139-90-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: 2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-

Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-: ACTIVE