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Home> Encyclopedia > Hot Product Listed 5   > 5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)
933747-41-2 structure

5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)

Iupac Name:6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid
CAS No.:933747-41-2
Molecular Weight:184.209
Molecular Formula:C20H17CLN4O5S (isomer)
Names and Identifiers
Synonyms

11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine hydrochloride 2-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]-2-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,9,12,14-heptaene hydrochloride 5-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]-5h-dibenzo[b,f]azepine hydrochloride(1:1) 5h-dibenz(b,f)azepine, 5-(3-(4-methoxy-4-phenylpiperidino)propyl)-, hydrochloride, hydrate (2:2:1) 5H-Dibenz[b,f]azepine, 5-[3-(4-methoxy-4-phenylpiperidino)propyl]-,monohydrochloride (8CI) 5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, monohydrochloride (9CI) AC1L4UZI AC1Q3DPI CTK4F7881 DTXSID40181024 LS-60493

Inchi
InChI=1S/C8H8O3S/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2,(H,9,10)
InChkey
JTAGXSCOVOJESP-UHFFFAOYSA-N
Canonical Smiles
C1COCC2=C1SC(=C2)C(=O)O
Properties
Density
1.242
Boiling Point
201.6°C at 760 mmHg
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:184.209g/mol
  • Molecular Formula:C20H17CLN4O5S
  • Compound Is Canonicalized:True
  • Exact Mass:184.019
  • Monoisotopic Mass:184.019
  • Complexity:195
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8A^2
  • Heavy Atom Count:12
  • 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: AAADccBwMABAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAEgBgAAAGgQACAAADACg2AIwCYAABgiM AiDSCAADAIAkCBBAiBkACMgIJjKgNRiCUQAkwAEouYeI7CiOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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