1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone

HCID 19825832

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Grundinformationen

CAS: 3763-06-2
Standard-SMILES: CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
InChIKey: JEOGFTYLESYHAM-UHFFFAOYSA-N
Summenformel: C18H21N3OS
Durchschnittliche Molmasse: 327,4 g/mol
Monoisotopische Masse: 327,14053348

Namen und Bezeichner

Bevorzugter Name: 1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone
IUPAC: 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
Englischer Name: 1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone
Summenformel: C18H21N3OS
Molmasse: 327.44

Namen und Synonyme

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

Weitere Namen anzeigen

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-

Datenbank-Bezeichner

CAS: 3763-06-2
PubChem CID: 19825832
DTXSID: DTXSID40600361
ChEMBL: CHEMBL4789463
UNII: 7GYF7PUX8V
EC Number: 690-930-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 23
Formalladung: 0
Komplexität: 410

Physikochemische Eigenschaften

storage temp.: Room Temperature
Löslichkeit: Chloroform; Dichloromethane; Acetone; Methanol;
Aggregatzustand: Powder
Farbe: Green

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.