2-(2-メトキシフェニル)-4,4-ジメチル-2-オキサゾリン

4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline

HCID 333189CAS 57598-33-1

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccccc1C1=NC(C)(C)CO1
InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N
分子式: C12H15NO2
平均分子量: 205.25 g/mol
単同位体質量: 205.11027872

名称と識別子

優先名称: 4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
IUPAC: 2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
現地名: 2-(2-メトキシフェニル)-4,4-ジメチル-2-オキサゾリン
英語名: 2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline
分子式: C12H15NO2
分子量: 205.25

名称と別名

57598-33-12-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline2-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleU3076TTS1PNSC 3334202-(2'-methoxyphenyl)-4,4-dimethyl-2-oxazoline4,5-DIHYDRO-2-(2-METHOXYPHENYL)-4,4-DIMETHYLOXAZOLE4,4-Dimethyl-2-(2-methoxyphenyl)oxazolineOxazole, 4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl-NSC-3334202-(2-methoxyphenyl)-4,4-dimethyloxazolineDTXSID80206225

名称をさらに表示

2-(2-メトキシフェニル)-4,4-ジメチル-2-オキサゾリン4,5-ジヒドロ-2-(2-メトキシフェニル)-4,4-ジメチルオキサゾールLABOTEST-BB LT004546482-(2-METHOXYPHENYL)-4,4-DIMETHYL-OXAZOLINE2-(2-methoxyphenyl)-4,4-dimethyl-5H-oxazole2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE 95%

RefChem:507390DTXCID80128716624-216-52-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazoleMFCD001518374,4-Dimethyl-2-(2'-methoxyphenyl)oxazolineNSC333420

データベース識別子

CAS: 57598-33-1
PubChem CID: 333189
DTXSID: DTXSID80206225
UNII: U3076TTS1P
EC Number: 624-216-5
Nikkaji: J1.285.638E

物性

構造計算による物性

XLogP: 2
極性表面積: 30.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 260

物理化学的性質

融点: 68 · 68-70°C
沸点: 311.5 · 311.5±25.0 °C(Predicted)
比重(密度): 1.08 · 1.08±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 4.88 · 4.88±0.70(Predicted)
InChI: 1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3
InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N
SMILES: COc1ccccc1C2=NC(C)(C)CO2
CAS データベース: 57598 · 57598-33-1(CAS DataBase Reference)

化学的性質

化学的特性White to cream/pink solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.