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Home> Encyclopedia > Hot Product Listed 6   > 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[4-(2,2-dimethylpropyl)-1-piperazinyl]acetyl]-5,11-di...
1187570-89-3 structure

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[4-(2,2-dimethylpropyl)-1-piperazinyl]acetyl]-5,11-dihydro-

Iupac Name:ethyl 3-amino-4-(propan-2-ylamino)benzoate
CAS No.:1187570-89-3
EINECS(EC#): 245-281-2
Molecular Weight:222.288
Molecular Formula:C28H38O10 (isomer)
Names and Identifiers
Synonyms

6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[[4-(2,2-dimethylpropyl)-1-piperazinyl]acetyl]-5,11-dihydro- (9CI)

Inchi
InChI=1S/C12H18N2O2/c1-4-16-12(15)9-5-6-11(10(13)7-9)14-8(2)3/h5-8,14H,4,13H2,1-3H3
InChkey
HUFSVBYBODFFDE-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC(=C(C=C1)NC(C)C)N
Properties
Density
0.846
Flash Point
175.1°C
Computational chemical data
  • Molecular Weight:222.288g/mol
  • Molecular Formula:C28H38O10
  • Compound Is Canonicalized:True
  • Exact Mass:222.137
  • Monoisotopic Mass:222.137
  • Complexity:231
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.4A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYyyILABACI AiTSSACCAAAlAgAIiIEIfMgIZjLAtZmWMQhk0AHI6Ye82SOeCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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