N,N'-Diethylethylenediamine (HCID 67105)

概要

N,N'-diethylethylenediamine is a diazaalkane consisting of octane having the two aza groups at the 3- and 6-positions.

名称と識別子

優先名称: N,N'-Diethylethylenediamine
IUPAC: N,N'-diethylethane-1,2-diamine
現地名: N,N'-ジエチルエチレンジアミン
英語名: N,N'-Diethylethylenediamine
分子式: C6H16N2
分子量: 116.2

名称と別名

N,N'-Diethylethylenediamine111-74-0N,N'-diethylethane-1,2-diamine1,2-Bis(ethylamino)ethane3,6-diazaoctane1,2-Ethanediamine, N1,N2-diethyl-EINECS 203-902-4n,n'-diethyl-1,2-ethanediamineAI3-26637N,N'-Diethyl-1,2-diaminoethaneDTXSID0059409CHEBI:182290

名称をさらに表示

N,N'-ジエチルエチレンジアミンN,N'-ジエチルエタン-1,2-ジアミン3,6-ジアザオクタンN,N'-ジエチル-1,2-エタンジアミン1,2-ビス(エチルアミノ)エタンN,N'-エチレンジエチルジアミンN,N'-ジエチルエタン-1,2-ジアミン DIHYDROBROMIDEN,N′-ジエチルエチレンジアミンN,N′-ジエチルエタン-1,2-ジアミンN,N′-ジエチル-1,2-エタンジアミンエチル[2-(エチルアミノ)エチル]アミンN1,N2-diethylethane-1,2-diaMineDEENN,N'-diethyldiamineN,N'-DiethylethyleneN,N'-Ethylenediethyldiamine

RefChem:821901DTXCID0033205203-902-41,2-Ethanediamine, N,N'-diethyl-ethyl[2-(ethylamino)ethyl]amineMFCD00009033SCHEMBL80292Ethylenediamine, N,N'-diethyl-

データベース識別子

CAS: 111-74-0
PubChem CID: 67105
DTXSID: DTXSID0059409
ChEMBL: CHEMBL54723
ChEBI: CHEBI:182290
UNII: M65DE5KU8F
EC Number: 203-902-4
Nikkaji: J150.839C

物性

構造計算による物性

XLogP: 0.2
極性表面積: 24.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 8
形式電荷: 0
複雑度: 31.5

物理化学的性質

融点: -7.15 °C · -7.15°C (estimate)
沸点: 152 · 152-154 °C(lit.)
比重(密度): 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4326(lit.)
闪点: 92 °F · 92 °F
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 11.17 · 11.17±0.19(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水と混和します。
安定性: 安定。可燃性。酸、酸塩化物、酸無水物、強力な酸化剤とは相容れない。空気中の二酸化炭素を吸収して反応することができます。
InChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
SMILES: C(NCC)CNCC
LogP: 0.21 · 0.210
CAS データベース: 111 · 111-74-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,2-Ethanediamine, N,N'-diethyl-(111-74-0)
EPAの化学物質情報: 1 · 1,2-Ethanediamine, N,N'-diethyl- (111-74-0)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2685 8/PG 2
hs_code: 29212900
risk_code: 10-34
消防法: 危-4-2-III
hazard_code: C
safety_code: 16-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1,2-Ethanediamine, N1,N2-diethyl-: ACTIVE

応用分野 · 1 件

使用N,N'-Diethylethylenediamine is used as an internal standard in liquid chromatographic method used for checking the assay of ethambutol. It is utilized for the solvation of lithium hexamethyldisilazide. It acts as a ligand and form coordination complexes such as trans-diaquabis(N,N'-diethylethylenediamine)nickel(II) chloride and copper(II)-N,N-Diethylethylenediamine, which shows thermochromic properties. Further, it is used as a pharmaceutical intermediate used in the synthesis of procainamide hydrochloride, tiapride and cinchocaine.