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HCID 69048Erstellt: 27. Oktober 2026
N,N,N',N',N'',N''-Hexamethyl-4,4',4''-methylidintrianilin
LCV · LEUCO CRYSTAL VIOLET · Leuco · leucogentian violet · C.I. Basic Violet 3, leuco · 4,4',4''-Methanetriyltris(N,N-dimethylaniline) · PI-LCV · Leucocrystal
https://huagongshe.com/de/chemical/69048
Identifikatoren & physikalische Daten
| CAS No. | 603-48-5 |
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| Summenformel | C25H31N3 |
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| Durchschnittliche Molmasse | 373,5 g/mol |
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| Monoisotopische Masse | 373,251798 g/mol |
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| SMILES | CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 |
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| InChIKey | OAZWDJGLIYNYMU-UHFFFAOYSA-N |
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| PubChem CID | 69048 |
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| ChEMBL | CHEMBL81595 |
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| ChEBI | CHEBI:182175 |
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| EC No. | 210-043-9 |
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| DTXSID | DTXSID3060530 |
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| Lokaler Name | N,N,N',N',N'',N''-Hexamethyl-4,4',4''-methylidintrianilin |
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Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
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| Polarare Oberfläche (TPSA) | 9,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 28 |
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| Formalladung | 0 |
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| Komplexität | 370 |
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| Physical Description | White to very pale lavender powder[IARC] |
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| Collision Cross Section | 216.47 Ų [M+H]+ |
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| Schmelzpunkt | 175-177 °C(lit.) |
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| Siedepunkt | 492.75°C (rough estimate) |
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| Dichte | 1.1857 (rough estimate) |
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| Dampfdruck | 0-0Pa at 10-30℃ |
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| Brechungsindex | 1.6270 (estimate) |
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| Lagerbedingungen | Amber Vial, Refrigerator |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 5.93±0.24(Predicted) |
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| Aggregatzustand | powder |
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| Farbe | White to light gray to slightly lavender |
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| Henry-Konstante | 6.4×104 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
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| Stabilität | Stable, but light and air sensitive. Incompatible with strong oxidizing agents. |
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| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
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| InChI | 1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3 |
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| InChIKey | OAZWDJGLIYNYMU-UHFFFAOYSA-N |
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| SMILES | CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C |
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| LogP (Verteilungskoeffizient) | 5.9 |
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| CAS Datenbank | 603-48-5(CAS DataBase Reference) |
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| NIST chemische Informationen | P,p',p''-methylidynetris(n,n-dimethylaniline)(603-48-5) |
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| EPA chemische Informationen | Leucogentian violet (603-48-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.9% (56 of 165) of reports.WarningH315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (24.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (41.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (41.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 56 of 165 reports by companies.There are 8 notifications provided by 109 of 165 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. |
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| Regulatorische Informationen | Chemical: Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-Hazard Traits - BioaccumulationEnvironmental PersistenceAuthoritative List - Canada PBiTsReport - if used as a fragrance or flavor ingredientStatus: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22898Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | See Gentian Violet. |
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| Hazard Classes and Categories | |
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