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Home> Encyclopedia > Hot Product Listed 5   > 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,6,11-dihydro-11-[(1-methyl-3-piperidinyl)carbonyl]-, hydroc...
61788-93-0 structure

5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,6,11-dihydro-11-[(1-methyl-3-piperidinyl)carbonyl]-, hydrochloride (1:1)

Iupac Name:tert-butyl N,N-dimethylcarbamate
CAS No.:61788-93-0
Molecular Weight:145.19900
Molecular Formula:C19H22CLN3 (isomer)
Names and Identifiers
Synonyms

5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-11-((1-methyl-3-piperidinyl)carbonyl)-, monohydrochloride 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,6,11-dihydro-11-[(1-methyl-3-piperidinyl)carbonyl]-, monohydrochloride (9CI) DF 594

Inchi
InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)8(4)5/h1-5H3
InChkey
RJSZFSOFYVMDIC-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N(C)C
Properties
Density
1.3
Boiling Point
453.7°C at 760 mmHg
Refractive Index
1.429
Flash Point
148.6°C
Safety and Handling
PackingGroup
III
Transport
160kgs
Computational chemical data
  • Molecular Weight:145.19900g/mol
  • Molecular Formula:C19H22CLN3
  • Compound Is Canonicalized:True
  • Exact Mass:145.11
  • Monoisotopic Mass:145.11
  • Complexity:124
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:10
  • 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: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAADESAgAQCCAMABAAI AAAAGAAAAAAAAAAAAAAIAAAAAAAAAAAIAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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