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Home> Hot Product Listed T   > T6739620
210558-66-0 structure

T6739620

Iupac Name:(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CAS No.:210558-66-0
Molecular Weight:241.759
Molecular Formula:C19H31N3O3 (isomer)
Names and Identifiers
Synonyms

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-n-[2-(1h-imidazol-1-yl)ethyl]acetamide MCULE-4856134261 MOLPORT-009-086-282 Z733624824 ZINC58129358

Inchi
InChI=1S/C13H19NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H/t11-,13-;/m0./s1
InChkey
PMKBLGNPWCWAAH-JZKFLRDJSA-N
Canonical Smiles
CC(C(C1=CC=CC=C1)O)N2CCCC2.Cl
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
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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:241.759g/mol
  • Molecular Formula:C19H31N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:241.123
  • Monoisotopic Mass:241.123
  • Complexity:183
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.5A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceByIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAACAAADDzhmAYyAIMAAgCA AiBCAAACAAAgAAAIiAAICIgKNiKAkRGEcAAkwAGYmAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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