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21451-74-1

21451-74-1 Structure

21451-74-1 Structure
IdentificationBack Directory
[Name]

(+)-TROGER'S BASE
[CAS]

21451-74-1
[Synonyms]

(+)-Trger's base
(+)-TROGER'S BASE
(+)-trǒger's base
(+)-Trδgers 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)DIAZOCINE
(5S,11S)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-, (5S,11S)-
(+)-Trδgers base, (5R,11R)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
[Molecular Formula]

C17H18N2
[MDL Number]

MFCD00151117
[MOL File]

21451-74-1.mol
[Molecular Weight]

250.34
Chemical PropertiesBack Directory
[Melting point ]

127-131 °C(lit.)
[Boiling point ]

461.0±45.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[pka]

4.53±0.20(Predicted)
[Optical Rotation]

[α]20/D +283±4°, c = 0.3% in hexane
[BRN ]

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
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

10-23
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

It 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.
[General Description]

Tr?ger base (TB) is a chiral heterocyclic amine with chirality due to the presence of two stereogenic nitrogen atoms.
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