5H-1,4-Diazepin-5-one, hexahydro-2-methyl-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

1390655-06-7
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CAS Name

5H-1,4-Diazepin-5-one, hexahydro-2-methyl-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C6H12N2O.C2HF3O2

Cite this Page

5H-1,4-Diazepin-5-one, hexahydro-2-methyl-, 2,2,2-trifluoroacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1390655-06-7 (retrieved 2024-08-29) (CAS RN: 1390655-06-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H12N2O.C2HF3O2/c1-5-4-8-6(9)2-3-7-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3,(H,8,9);(H,6,7)

InChIKey

InChIKey=PAAILCXIFILUQW-UHFFFAOYSA-N

SMILES

CC1CNC(=O)CCN1.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C1NCC(NCC1)C.O=C(O)C(F)(F)F

Other Names for this Substance

  • 5H-1,4-Diazepin-5-one, hexahydro-2-methyl-, 2,2,2-trifluoroacetate (1:1)