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Home > Encyclopedia > [1,4]Diazepan-2-one

[1,4]Diazepan-2-one

[1,4]Diazepan-2-one structure

[1,4]Diazepan-2-one 

structure
  • CAS No:

    99822-50-1

  • Formula:

    C5H10N2O

  • Chemical Name:

    [1,4]Diazepan-2-one

  • Synonyms:

    1,4-diazepan-2-one(SALTDATA: FREE);Perhydro-1,4-diazepin-2-one;1,4-Diazapan-2-one;2H-1,4-Diazepin-2-one, hexahydro-;1,4-diazacycloheptan-2-one;1,4-diazepan-2-one hydrochloride;hexahydro-2H-1,4-Diazepin-2-one

[1,4]Diazepan-2-one Basic Attributes

114.15

114.079

DTXSID40540531

Characteristics

41.1

-0.7

1.012±0.06 g/cm3(Predicted)

86-88 °C(Solv: acetone (67-64-1))

308.8°C at 760 mmHg

Drug Information

1,4-diazepan-2-one

[1,4]Diazepan-2-one Use and Manufacturing

To a stirred solution of To a solution of compound 5 (0.5 g, 2.3 mmol) in DCM (5 mL) was added TFA (5 mL), and stirred at 25 C. for 2 h. TLC monitored that the reaction completed. The mixture was concentrated to give the crude product (780 mg, crude).To a solution of compound 5 (0.5 g, 2.3 mmol) in DCM (5 mL) was added TFA (5 mL), and stirred at 25 C. for 2 h. TLC monitored that the reaction completed. The mixture was concentrated to give the crude product (780 mg, crude).

Computed Properties

Molecular Weight:114.15
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:114.079312947
Monoisotopic Mass:114.079312947
Topological Polar Surface Area:41.1
Heavy Atom Count:8
Complexity:92.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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