Name: Name:Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
Brand: Angene
SKU: AG002M2D
Rating: 90 (10 reviews)

Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-

CAS No.:

230615-69-7

Catalog Number:

AG002M2D

Molecular Formula:

C13H14F3N3O

Molecular Weight:

285.2650

Catalog Number:

AG002M2D

Chemical Name:

Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-

CAS Number:

230615-69-7

Molecular Formula:

C13H14F3N3O

Molecular Weight:

285.2650

MDL Number:

MFCD11042283

IUPAC Name:

1-(4,5-diamino-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone

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

InChI Key:

LWZYCQINJXEWRC-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)N)N

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.27g/mol

Monoisotopic Mass:

285.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2