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Home > Encyclopedia > 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one structure

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one 

structure
  • CAS No:

    34376-54-0

  • Formula:

    C5H10N2O

  • Chemical Name:

    2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

  • Synonyms:

    [1,4]DIAZEPAN-5-ONE;1,4-DIAZEPAN-5-ONE ACETATE;2,3,6,7-TETRAHYDRO-(1H)-1,4-DIAZEPIN-5-(4H)-ONE;5-HOMOPIPERAZINONE;Homopiperazin-5-one;5H-1,4-DIAZEPIN-5-ONE, HEXAHYDRO-;1,4-Diazapan-5-one;Homopiperazin-5-one, 5-Oxo-1,4-diazepane

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one Basic Attributes

114.15

114.079315

DTXSID50371954

2933990090

Characteristics

41.1

-1.83

off-white crystals

1.0±0.1 g/cm3

65-68

308.8±35.0 °C at 760 mmHg

159.5±26.1 °C

1.443

Safety Information

HYGROSCOPIC

36

26

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:114.15
XLogP3:-1.2
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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