Troger base
Grundinformationen
- CAS
21451-74-1- Standard-SMILES
Cc1ccc2c(c1)CN1CN2Cc2cc(C)ccc21- InChIKey
SXPSZIHEWFTLEQ-UHFFFAOYSA-N- Summenformel
- C17H18N2
- Durchschnittliche Molmasse
- 250,34 g/mol
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- Troger base
- IUPAC
- 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
- Englischer Name
- (+)-TROGER'S BASE
- Summenformel
- C17H18N2
- Molmasse
- 250.34
Namen und Synonyme
Troeger's base529-81-72,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocineSP9UUR2HG4NSC-682112,8-Dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)diazocine6H,12H-5,11-Methanodibenzo(b,f)(1,5)diazocine, 2,8-dimethyl-DTXSID302009502,8-dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)-diazocine6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-Troger baseRefChem:900656
Weitere Namen anzeigen
(+)-Trger's base(+)-Trδgers base(+)-trǒger's base(R)-2,8-dimethyl-5,11-methanodibenzo (B,F)(1,5)diazocin(+)-TROGER'S BASE, FLUKABRAND CHIRA-SELE CT REAGENT, 99+%(5R,11R)-(+)-2,8-DIMETHYL-6H,12H-5,11-METHANODIBENZO[B,F][1,5]DIAZOCIN(5R,11R)-(+)-2,8-DIMETHYL-6H,12H-5,11-METHANODIBENZO(B,F)(1,5)DIAZOCINE6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-, (5S,11S)-(5S,11S)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
DTXCID60123441Troger's base14645-24-021451-74-1(-)-TROGER'S BASE(+)-Troger's base(-)-TROGER/'S BASE(5S,11S)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 6,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 310
Physikochemische Eigenschaften
- Schmelzpunkt
- 127 · 127-131 °C(lit.)
- Siedepunkt
- 461 · 461.0±45.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.20(Predicted)
- BRN
- 88612 · 88612
- InChI
- 1S/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H3
- InChIKey
- SXPSZIHEWFTLEQ-UHFFFAOYSA-N
- SMILES
- Cc1ccc2[N@H]3C[N@@H](Cc2c1)c4ccc(C)cc4C3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenIt was used as an standard analyte for testing the enantioseparation capability of the chiral stationary phase column; in a study to understand the covalently bonded cellulose tris(3,5-dimethylphenylcarbamate) on a silica monolithic capillary column.
Anbieter3 Anbieter
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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