N,N-ビス(2-アミノエチル)エチレンジアミン・三塩酸塩

Tris(2-aminoethyl)amine

HCID 77731

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 14350-52-8
標準SMILES: NCCN(CCN)CCN
InChIKey: MBYLVOKEDDQJDY-UHFFFAOYSA-N
分子式: C6H18N4
平均分子量: 146.23 g/mol
単同位体質量: 146.15314658

概要

Tris(2-aminoethyl)amine is a tetramine.

名称と識別子

優先名称: Tris(2-aminoethyl)amine
IUPAC: N',N'-bis(2-aminoethyl)ethane-1,2-diamine
現地名: N,N-ビス(2-アミノエチル)エチレンジアミン・三塩酸塩
英語名: 1,2-Ethanediamine,N1,N1-bis(2-aminoethyl)-, hydrochloride (1:3)
分子式: C6H18N4
分子量: 146.23392

名称と別名

Tris(2-aminoethyl)amine4097-89-6Tren1,2-Ethanediamine, N,N-bis(2-aminoethyl)-2,2',2''-TriaminotriethylamineNitrilotris(ethylamine)Tren HPTris(aminoethyl)amineN,N-Bis(2-aminoethyl)-1,2-ethanediaminenitrilotriethylamine3GY3QSG6H5DTXSID4063296

名称をさらに表示

N,N-ビス(2-アミノエチル)エチレンジアミン・三塩酸塩1,2-Ethanediamine,N1,N1-bis(2-aminoethyl)-, hydrochloride (1:3)

CHEBI:30631tris[2-aminoethyl]amineTREN compoundtris-2-aminoethylamineRefChem:900183DTXCID1039840223-857-4triaminotriethylamine

データベース識別子

CAS: 14350-52-8、4097-89-6
PubChem CID: 77731
DTXSID: DTXSID4063296
ChEMBL: CHEMBL19823
ChEBI: CHEBI:30631
UNII: 3GY3QSG6H5
EC Number: 223-857-4
Nikkaji: J25.779F

物性

構造計算による物性

XLogP: -2.6
極性表面積: 81.3 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 10
形式電荷: 0
複雑度: 52.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.02 [mmHg]

Physical DescriptionClear dark yellow liquid; Hygroscopic; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 5.6% (37 of 655) of reports.

Danger

H301 (77.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 655 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,2-Ethanediamine, N,N-bis(2-aminoethyl)-

1,2-Ethanediamine, N,N-bis(2-aminoethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes ataxia, respiratory depression, and diarrhea in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion; Highly toxic by skin absorption; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (77.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.74 [mg/m3]

8.1 [mg/m3]

49 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

化学と産業

用途と製造

General Manufacturing Information1,2-Ethanediamine, N1,N1-bis(2-aminoethyl)-: ACTIVE

調製方法 · 1 件

純化方法Crystallise the salt several times by dissolving it in the minimum of hot water and precipitating it with excess of cold EtOH. The precipitate is washed with acetone, then diethyl ether and dried in a vacuum desiccator. [Beilstein 4 H 256, 4 II 695, 4 III 545, 4 IV 1250.]