5-Ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium;perchlorate
Grundinformationen
- CAS
31161-17-8- Standard-SMILES
CCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
FICCBMGBBWWZRF-UHFFFAOYSA-M- Summenformel
- C20H24ClNO4
- Durchschnittliche Molmasse
- 377,9 g/mol
- Monoisotopische Masse
- 377,1393859
Namen und Bezeichner
- Bevorzugter Name
- 5-Ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium;perchlorate
- IUPAC
- 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium perchlorate
- Englischer Name
- Methadone metabolite
- Summenformel
- C20H24ClNO4
- Molmasse
- 377.87
Namen und Synonyme
5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium;perchlorateRefChem:535450853-152-231161-17-8EDDP (perchlorate) (CRM)EDDP (perchlorate)d,l-EDDP.perchlorateEDDP Perchlorate; 2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate; 5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium perchlorate (1:1)EDDP PERCHLORATEMethadone metaboliteSCHEMBL4902337SCHEMBL30603430
Weitere Namen anzeigen
EDDP Perchlorate (1:1)EDDP perchlorate solutionEDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate)EDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate) 1.0 mg/ml in Methanol (as Pyrrolinium)EDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate) 0.1 mg/ml in Methanol (as Pyrrolinium)
DTXSID80880948GBA16117MSK11411HY-135161CS-0109662d,l-EDDP.perchlorate, 1mg/ml in Methanol (as free base)5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium perchlorate2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine perchlorate(cis/trans mixture)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 77,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 460
Physikochemische Eigenschaften
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- solid
- Major Application
- forensics and toxicology
- InChI
- 1S/C20H24N.ClHO4/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;2-1(3,4)5/h5-14,16H,4,15H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
- InChIKey
- FICCBMGBBWWZRF-UHFFFAOYSA-M
- SMILES
- C[N+]1=C(CC)C(C2=CC=CC=C2)(C3=CC=CC=C3)CC1C.O=Cl(=O)([O-])=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P301+P316, P304+P340, P319, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
Chemie und Industrie
Anbieter2 Anbieter
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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