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Home> Hot Product Listed T   > T6796147
150322-43-3 structure

T6796147

Iupac Name:[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,
7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CAS No.:150322-43-3
Molecular Weight:373.441103
Molecular Formula:C13H15FN4O2 (isomer)
Names and Identifiers
Synonyms

ethyl n-{1-[2-(pyridin-4-yl)ethyl]piperidin-3-yl}carbamate MCULE-2167718149 MOLPORT-009-552-642 Z433169722

Inchi
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
Canonical Smiles
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
Properties
Melting Point
120.0 to 124.0 °C
Vapour
0mmHg at 25°C
Refractive Index
1.619
HS Code
29349990
Safety and Handling
Safety Statements
24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 150322-43-3 EC: T6796147 ·ECHA C&L Inventory for CAS: CAS: 150322-43-3 EC: T6796147
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:373.441103g/mol
  • Molecular Formula:C13H15FN4O2
  • Exact Mass:373.114792
  • Monoisotopic Mass:373.114792
  • Complexity:555
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:74.8
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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