1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone , 98% , 230615-69-7

CAS NO.：230615-69-7

Empirical Formula: C13H14F3N3O

Molecular Weight: 285.27

MDL number: MFCD11042283

PRODUCT Properties

• 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

Description and Uses

Varenicline intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P280-P305+P351+P338