N,N-ジエチルメチルアミン

Diethylmethylamine

HCID 12022

ノート反応

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基本情報

CAS: 616-39-7
標準SMILES: CCN(C)CC
InChIKey: GNVRJGIVDSQCOP-UHFFFAOYSA-N
分子式: C5H13N
平均分子量: 87.16 g/mol
単同位体質量: 87.10479942

名称と識別子

優先名称: Diethylmethylamine
IUPAC: N-ethyl-N-methylethanamine
現地名: N,N-ジエチルメチルアミン
英語名: N,N-Diethylmethylamine
分子式: C5H13N
分子量: 87.16

名称と別名

N,N-DIETHYLMETHYLAMINE616-39-7DiethylmethylamineEthanamine, N-ethyl-N-methyl-2Y6BJW3KUDDTXSID8060664n-methyl-diethylamineRefChem:587415N-ethyl-N-methyl-ethylamineDTXCID7043081210-480-5N-Methyldiethylamine

名称をさらに表示

N,N-ジエチルメチルアミンN,N-ジエチル-N-メチルアミンジエチルメチルアミンN-エチル-N-メチルエタンアミンメチルジエチルアミンジエチル(メチル)アミンN-メチルジエチルアミンN,N‐ジエチルメチルアミンDiethylmethylamindiethyl-methyl-amine(C2H5)2(CH3)NN-Methyl-diethylaminN,N-DiethylmethanamineDiethylmonomethylamineDiethylamine,N-methyl-

N-ethyl-N-methylethanamineMethyldiethylamineN-Ethyl-N-methyl-ethanamineDiethylamine, N-methyl-MFCD00009049methyldiethyl aminen,n-diethyl-n-methylaminediethylmethyl amine

データベース識別子

CAS: 616-39-7
PubChem CID: 12022
DTXSID: DTXSID8060664
ChEMBL: CHEMBL2448813
UNII: 2Y6BJW3KUD
EC Number: 210-480-5
Nikkaji: J79.744H

物性

構造計算による物性

XLogP: 1
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 23.1

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Dissociation Constants10.5

物理化学的性質

融点: -196 °C · -196 °C
沸点: 63 · 63-65 °C (lit.)
比重(密度): 0.72 g/mL · 0.72 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.389(lit.)
闪点: 11 °F · −11 °F
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 10.35 · 10.35(at 25℃)
外見: 液体
比重: 0.72 · 0.720
色: 無色透明～淡黄色
水溶解度: 310.5 g/L · 310.5g/L(49.40℃)
BRN: 1730930 · 1730930
Henry's Law Constant: 7.9 · 7.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
InChIKey: GNVRJGIVDSQCOP-UHFFFAOYSA-N
SMILES: CCN(C)CC
CAS データベース: 616 · 616-39-7(CAS DataBase Reference)
NISTの化学物質情報: Ethanamine, N-ethyl-N-methyl-(616-39-7)
EPAの化学物質情報: Ethanamine, N-ethyl-N-methyl- (616-39-7)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (95.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, 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 7 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. 2 (95.7%)

安全データ

F: 10-34
wgk: 2
tsca: TSCA listed
ridadr: UN 2733 3/PG 1
hs_code: 29211990
risk_code: 11-20/22-34
消防法: 危-4-1-II
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3.1
packing_group: I
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids