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Home > Encyclopedia > 1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine

1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine

1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine structure

1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine 

structure
  • CAS No:

    849021-44-9

  • Formula:

    C9H13BrN4

  • Chemical Name:

    1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine

  • Synonyms:

    1H-1,4-Diazepine,1-(5-bromo-2-pyrimidinyl)hexahydro-;1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine;1-(5-Bromopyrimidin-2-yl)[1,4]diazepane;1-(5-Bromopyrimidin-2-yl)-1,4-diazepane

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine Basic Attributes

257.14

257.13

DTXSID10375498

Characteristics

41

1.43260

1.443g/cm3

203~207℃

394.7ºC at 760 mmHg

192.5ºC

1.568

Safety Information

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 (100%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:257.13
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:256.03236
Monoisotopic Mass:256.03236
Topological Polar Surface Area:41
Heavy Atom Count:14
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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