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Home> Hot Product Listed T   > T6465259
65-71-4 structure

T6465259

CAS No.:65-71-4
Molecular Weight:126.11334
Molecular Formula:C19H28N4O3S (isomer)
Names and Identifiers
Synonyms

1-{[4-(1,3,5-trimethyl-1h-pyrazole-4-carbonyl)piperazin-1-yl]sulfonyl}azepane AB01007175-01 MCULE-4015147119 MOLPORT-009-255-049 Z298755952 ZINC40057696

Inchi
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChkey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
Canonical Smiles
CC1=CNC(=O)NC1=O
Properties
Melting Point
316-317℃
Refractive Index
1.489
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
20kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 65-71-4 EC: T6465259 ·ECHA C&L Inventory for CAS: CAS: 65-71-4 EC: T6465259
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:126.11334g/mol
  • Molecular Formula:C19H28N4O3S
  • XLogP3-AA:_0.6
  • Exact Mass:126.042927
  • Monoisotopic Mass:126.042927
  • Complexity:195
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:58.2
  • Heavy Atom Count:9
  • 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
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