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230615-69-7

230615-69-7 Structure

230615-69-7 Structure
IdentificationBack Directory
[Name]

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine
[CAS]

230615-69-7
[Synonyms]

Varenicline Impurity 15
Varenicline Impurity 25
Varenicline ortho-Diamino Impurity
2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine
1-(4,5-diamino-10-azabicyclo[6.3.1]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
1,5-Methano-1H-3-benzazepine-7,8-diamine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)- (9CI)
1-(7,8-diaMino-4,5-dihydro-1H-1,5-Methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
1-(4,5-Diamino-10-aza-tricyclo[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone
1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Ethanone,1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
[Molecular Formula]

C13H14F3N3O
[MDL Number]

MFCD11042283
[MOL File]

230615-69-7.mol
[Molecular Weight]

285.27
Chemical PropertiesBack Directory
[Melting point ]

83-88°C
[Boiling point ]

487.7±45.0 °C(Predicted)
[density ]

1.455
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

4.86±0.20(Predicted)
[color ]

White to Brown
[InChI]

InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)19-4-6-1-7(5-19)9-3-11(18)10(17)2-8(6)9/h2-3,6-7H,1,4-5,17-18H2
[InChIKey]

LWZYCQINJXEWRC-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CC2CC(C3=CC(N)=C(N)C=C32)C1)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Brownish Orange Solid
[Uses]

Varenicline intermediate.
[Application]

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine(230615-69-7) is a reactant used in the preparation of Varenicline, a nicotinic α4β2 acetylcholine receptor partial agonist. Aid in smoking cessation.
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