CAS 3763-06-2 1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone (HCID 19825832)

基本情報

CAS: 3763-06-2
標準SMILES: CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
InChIKey: JEOGFTYLESYHAM-UHFFFAOYSA-N
分子式: C18H21N3OS
平均分子量: 327.4 g/mol
単同位体質量: 327.14053348

名称と識別子

優先名称: 1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone
IUPAC: 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
英語名: 1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone
分子式: C18H21N3OS
分子量: 327.44

名称と別名

1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanoneRefChem:422972690-930-9Acetyl Methylene Blue3763-06-21-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone1-[3,7-Bis(dimethylamino)-10H-phenothiazin-10-yl]ethan-1-one1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethan-1-oneAcetylated Methylene BlueAcetylated Methylene Blue; 1-[3,7-Bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone; 1-[3,7-Bis(dimethylamino)phenothiazin-10-yl]ethanone; 10-Acetyl-3,7-bis(dimethylamino)-phenothiazine; 10-Acetyl-N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diamine;Azure A Impurity 2

名称をさらに表示

Ethanone, 1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]-10-acetyl-N(3),N(3),N(7),N(7)-tetramethyl-10H-phenothiazine-3,7-diamine

7GYF7PUX8Vorb2646164SCHEMBL1208061CHEMBL4789463SCHEMBL29557693DTXSID40600361JEOGFTYLESYHAM-UHFFFAOYSA-N10H-Phenothiazine-3,7-diamine, 10-acetyl-N,N,N',N'-tetramethyl-

物性

構造計算による物性

XLogP: 3.2
極性表面積: 52.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 23
形式電荷: 0
複雑度: 410

物理化学的性質

貯蔵温度: Room Temperature
溶解性: クロロホルム;ジクロロメタン;アセトン;メタノール;
外見: 粉
色: 緑

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.