4-ジエチルアミノベンズアルデヒド

4-(Diethylamino)benzaldehyde

HCID 67114CAS 120-21-8
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基本情報

標準SMILES
CCN(CC)c1ccc(C=O)cc1
InChIKey
MNFZZNNFORDXSV-UHFFFAOYSA-N
分子式
C11H15NO
平均分子量
177.24 g/mol
単同位体質量
177.1153641

概要

4-(diethylamino)benzaldehyde is a member of the class of benzaldehydes carrying a diethylamino substituent at position 4. It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a member of benzaldehydes, an aromatic amine and a tertiary amino compound.

名称と識別子

優先名称
4-(Diethylamino)benzaldehyde
IUPAC
4-(diethylamino)benzaldehyde
現地名
4-ジエチルアミノベンズアルデヒド
英語名
4-Diethylaminobenzaldehyde
分子式
C11H15NO
分子量
177.24

名称と別名

4-(Diethylamino)benzaldehyde4-Diethylaminobenzaldehyde120-21-8Benzaldehyde, 4-(diethylamino)-p-(Diethylamino)benzaldehydep-Formyl-N,N-diethylanilineBenzaldehyde, p-(diethylamino)-4-(N,N-Diethylamino)benzaldehydeDTXSID0021963S640XWL10HCHEBI:86194NSC-8782
名称をさらに表示
4-ジエチルアミノベンズアルデヒド4-(ジエチルアミノ)ベンズアルデヒド4-(ジエチルアミノ)ベンゼンカルボアルデヒドp-ジエチルアミノベンズアルデヒド４ジエチルアミノベンズアルデヒド4‐(ジエチルアミノ)ベンズアルデヒドDEABN,N-Diethylaminobenzaldehyde4-DiethyLDEAB - NSC 8782AKOS BBS-000032024-DiethylaminobenzalLABOTEST-BB LT00924385p-Diethylaminobenzaldehyd
DTXCID901963DEABZRefChem:97424204-377-44-(Diethylamino)-Benzaldehydep-DIETHYLAMINOBENZALDEHYDENSC 8782MFCD00003382

データベース識別子

CAS
120-21-8
PubChem CID
67114
DTXSID
DTXSID0021963
ChEMBL
CHEMBL3416563
ChEBI
CHEBI:86194
UNII
S640XWL10H
EC Number
204-377-4
Nikkaji
J37.725B

物性

構造計算による物性

XLogP
2.5
極性表面積
20.3 Ų
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
4
重原子数
13

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section139.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0021963]

物理化学的性質

融点
37 · 37-41 °C(lit.)
沸点
174 °C7 · 174 °C7 mm Hg(lit.)
比重(密度)
1.03 g/cm3 · 1.03 g/cm3
屈折率
1.5302 · 1.5302 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性dark brown to green coarse crystals or

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (68.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 8 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: Benzaldehyde, 4-(diethylamino)-

Benzaldehyde, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (68.2%)

安全データ

wgk
2
tsca
TSCA listed
rtecs
CU5612850
毒性
mouse,LD50,intraperitoneal,700mg/kg (700mg/kg),National Technical Information Service. Vol. OTS0534444,
hs_code
29223990
risk_code
36/37/38-50/53-21/22

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 4-(diethylamino)-: ACTIVE

応用分野

用途有機合成原料。

使用4-Diethylaminobenzaldehyde is used in the preparation of 5-(4-diethylamino-benzylidene)-selenazolidine-2,4-dione by using aqueous methylamine as a reagent.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

補足説明

定義ChEBI: A member of the class of benzaldehydes carrying a diethylamino substituent at position 4.

関連反応

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