2-メトキシフェノチアジン

Methyl phenothiazin-2-yl ether

HCID 74490CAS 1771-18-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc2c(c1)Nc1ccccc1S2
InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N
分子式: C13H11NOS
平均分子量: 229.3 g/mol
単同位体質量: 229.05613515

名称と識別子

優先名称: Methyl phenothiazin-2-yl ether
IUPAC: 2-methoxy-10H-phenothiazine
現地名: 2-メトキシフェノチアジン
英語名: 2-Methoxyphenothiazine
分子式: C13H11NOS
分子量: 229.3

名称と別名

2-Methoxyphenothiazine2-Methoxy-10H-phenothiazineMethyl phenothiazin-2-yl etherNSC 72107EINECS 217-195-5DTXSID70170249RefChem:157996DTXCID0092740217-195-5DLYKFPHPBCTAKD-UHFFFAOYSA-N1771-18-210H-Phenothiazine, 2-methoxy-

名称をさらに表示

2-メトキシフェノチアジン2-メトキシ-10H-フェノチアジン2-METHOXYPHENOTHIAZMethoxyPhenoThiazine2-MethoxyPhenthiazine2-Methoxyphenothiazine>Levomepromazine Impurity 12-METHOXYPHENOTHIAZINE 95+%

Phenothiazine, 2-methoxy-MFCD00037838C13H11NOS2-Methoxy PhenothiazineCHEMBL64404Levomepromazine Maleate Imp. A (EP); Levomepromazine Imp. A (EP); 2-Methoxyphenothiazine; Levomepromazine Maleate Impurity A; Levomepromazine Impurity ANSC721072methoxy-phenothiazine

データベース識別子

CAS: 1771-18-2
PubChem CID: 74490
DTXSID: DTXSID70170249
ChEMBL: CHEMBL64404
ChEBI: CHEBI:125620
EC Number: 217-195-5
Nikkaji: J25.658G

物性

構造計算による物性

XLogP: 4.1
極性表面積: 46.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 248

物理化学的性質

融点: 185 · 185-188°C
沸点: 408.1 · 408.1±34.0 °C(Predicted)
比重(密度): 1.235 · 1.235±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO、メタノール（微量）
外見: 個体
酸解離定数(Pka): -1.32 · -1.32±0.20(Predicted)
色: ペールグレーからペールブラウン
InChI: InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N
SMILES: C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1OC
CAS データベース: 1771 · 1771-18-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methoxyphenothiazine(1771-18-2)

化学的性質

化学的特性Yellow or pale gray solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 60% (9 of 15) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (13.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 9 of 15 reports by companies.；There are 6 notifications provided by 6 of 15 reports by companies with hazard statement code(s).；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.