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Home> Encyclopedia > Hot Product Listed 1   > 1H-Pyrrolo[3,4-b]pyridine,octahydro-,?(4aR,7aR)-rel-
147459-51-6 structure

1H-Pyrrolo[3,4-b]pyridine,octahydro-,?(4aR,7aR)-rel-

Iupac Name:(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
CAS No.:147459-51-6
EINECS(EC#): 1806241-263-5
Molecular Weight:126.19900
Molecular Formula:C7H14N2 (isomer)
Names and Identifiers
Synonyms

(4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine (4aR,7aR)-rel-Octahydro-1H-pyrrolo[3,4-b]pyridine (4R,7R)-Moxifloxacin Side chain (R,R)-2,8-diazobicyclo[4,3,0]-nonane 1H-Pyrrolo[3,4-b]pyridine,octahydro-, (4aR,7aR)-rel- cis-Octahydro-1H-pyrrolo[3,4-b]pyridine Moxifloxacin EP Impurity H

Inchi
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1
InChkey
KSCPLKVBWDOSAI-RQJHMYQMSA-N
Canonical Smiles
C1CC2CNCC2NC1
Properties
Density
0.95g/cm3
Boiling Point
198.5ºC at 760 mmHg
Vapour
0.358mmHg at 25°C
Refractive Index
1.469
Flash Point
87.1ºC
Safety and Handling
Specification

?1H-Pyrrolo[3,4-b]pyridine,octahydro-, (4aR,7aR)- , its CAS NO. is 151213-42-2, the synonym is (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine .

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:126.19900g/mol
  • Molecular Formula:C7H14N2
  • Compound Is Canonicalized:True
  • Exact Mass:126.116
  • Monoisotopic Mass:126.116
  • Complexity:103
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.1A^2
  • Heavy Atom Count:9
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgAAAAAHAAQAAAADSjBAAQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAQAIAwAAUAAAAEACAAAEQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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