N,N,N',N'-テトラエチルメタンジアミン

Tetraethylmethylenediamine

HCID 66020

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 102-53-4
標準SMILES: CCN(CC)CN(CC)CC
InChIKey: UNEXJVCWJSHFNN-UHFFFAOYSA-N
分子式: C9H22N2
平均分子量: 158.28 g/mol
単同位体質量: 158.17829871

名称と識別子

優先名称: Tetraethylmethylenediamine
IUPAC: N,N,N',N'-tetraethylmethanediamine
現地名: N,N,N',N'-テトラエチルメタンジアミン
英語名: N,N,N',N'-Tetraethylmethylenediamine
分子式: C9H22N2
分子量: 158.28

名称と別名

102-53-4N,N,N',N'-TetraethylmethanediamineMethanediamine, N,N,N',N'-tetraethyl-Bis(diethylamino)methaneN,N,N',N'-TetraethylmethylenediamineTetraethylmethylenediamineN,N'-MethylenebisdiethylamineN,N,N',N'-Tetraethyldiaminomethane9DJ3133IMJEINECS 203-038-8NSC 27525NSC-27525

名称をさらに表示

N,N,N',N'-テトラエチルメタンジアミンメチレンビス(ジエチルアミン)TetraethyldiaminomethaneMethylenebis(diethylamine)[(diethylamino)methyl]diethylamineN,N,N',N'-tetraethyl methyldiamine

DTXSID9059256N,N-METHYLENEBISDIETHYLAMINERefChem:897022DTXCID2032685203-038-8NSC27525MFCD00015115bis-diethylamino-methane

データベース識別子

CAS: 102-53-4
PubChem CID: 66020
DTXSID: DTXSID9059256
UNII: 9DJ3133IMJ
EC Number: 203-038-8
Nikkaji: J129.271D

物性

構造計算による物性

XLogP: 1.9
極性表面積: 6.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 11
形式電荷: 0
複雑度: 65

物理化学的性質

融点: 37.5 °C · 37.5°C (estimate)
沸点: 166 · 166-169 °C(lit.)
比重(密度): 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.426(lit.)
闪点: 108 °F · 108 °F
外見: 液体
酸解離定数(Pka): 7.85 · 7.85±0.50(Predicted)
InChI: 1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3
InChIKey: UNEXJVCWJSHFNN-UHFFFAOYSA-N
SMILES: CCN(CC)CN(CC)CC
EPAの化学物質情報: Methanediamine, N,N,N',N'-tetraethyl- (102-53-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Dam. 1Flam. 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 InformationMethanediamine, N,N,N',N'-tetraethyl-: ACTIVE

応用分野

使用N,N,N′,N′-Tetraethylmethanediamine has been used to study the tertiary amine catalytic activities in the reaction of phenyl isocyanate with 1-butanol in toluene.