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Home > Encyclopedia > 8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione

8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione

8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione structure

8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione 

structure
  • CAS No:

    476481-36-4

  • Formula:

    C21H25N5O3

  • Chemical Name:

    8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione

  • Synonyms:

    8-(1-azepanyl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione;BAS 06502945;SMR000013801;Salor-int l216062-1ea;MLS000034599;CHEMBL1423584;HMS2344I16;ZINC801695;MFCD03933719;STK781806;AKOS000580370;MCULE-7682292160;NCGC00031788-02;AB00403855-09;SR-01000321890;SR-01000321890-1;8-(azepan-1-yl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione;8-Azepan-1-yl-1,3-dimethyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione;476481-36-4

8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione Basic Attributes

395.5 g/mol

395.19573968 g/mol

Characteristics

78.8 Ų

Safety Information

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:395.5
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:395.19573968
Monoisotopic Mass:395.19573968
Topological Polar Surface Area:78.8
Heavy Atom Count:29
Complexity:642
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 8-(azepan-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione

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