4-Dimethylaminomethylbenzaldehyde

HCID 193251

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基本情報

CAS: 36874-95-0
標準SMILES: CN(C)Cc1ccc(C=O)cc1
InChIKey: HQDFSQZWAINMKA-UHFFFAOYSA-N
分子式: C10H13NO
平均分子量: 163.22 g/mol
単同位体質量: 163.09971404

名称と識別子

優先名称: 4-Dimethylaminomethylbenzaldehyde
IUPAC: 4-[(dimethylamino)methyl]benzaldehyde
英語名: 4-Dimethylaminomethyl-benzaldehyde
分子式: C10H13NO
分子量: 163.22

名称と別名

36874-95-0p-Dimethylaminomethylbenzaldehyde4-DimethylaminomethylbenzaldehydeBenzaldehyde, 4-[(dimethylamino)methyl]-Benzaldehyde, 4-((dimethylamino)methyl)-RefChem:987724-[(dimethylamino)methyl]benzaldehyde4-Dimethylaminomethyl-benzaldehyde4-((dimethylamino)methyl)benzaldehydeMFCD068006014-(dimethylaminomethyl)benzaldehydeSCHEMBL470309

名称をさらに表示

4-[(Dimethylamino)methyl]benzaldehyde HCl4-((dimethylamino)methyl)benzaldehyde hydrochloride

SCHEMBL6410635DTXSID20958074HQDFSQZWAINMKA-UHFFFAOYSA-N(4-Dimethylaminomethyl)benzaldehydeALBB-015111SBB108985AKOS0005060014-((dimethylamino) methyl)benzaldehyde

データベース識別子

CAS: 36874-95-0
PubChem CID: 193251
DTXSID: DTXSID20958074
EC Number: 806-142-7
Nikkaji: J3.463.758J

物性

構造計算による物性

XLogP: 1.2
極性表面積: 20.3 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: 3
重原子数: 12
形式電荷: 0
複雑度: 137

物理化学的性質

沸点: 241.2 · 241.2±15.0 °C(Predicted)
比重(密度): 1.035 · 1.035±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 8.38 · 8.38±0.28(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.