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Home> Hot Product Listed T   > T6731224
9012-00-4 structure

T6731224

CAS No.:9012-00-4
Molecular Weight:331.34642
Molecular Formula:C19H31NO (isomer)
Names and Identifiers
Synonyms

4-(4-{2-[(6-methylpyridin-3-yl)oxy]ethoxy}benzenesulfonyl)morpholine MCULE-6422377327 MOLPORT-009-112-101 Z927886408 ZINC62580733

Inchi
InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,20H,1H3,(H,16,17)/b15-13+
Canonical Smiles
CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=CC=CC=C3S1(=O)=O
Isomers Smiles
CN1/C(=C(\NC2=CC=CC=N2)/O)/C(=O)C3=CC=CC=C3S1(=O)=O
Safety and Handling
Safety Statements
WGK Germany 3 RTECS UK9440000
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9012-00-4 EC: T6731224 ·ECHA C&L Inventory for CAS: CAS: 9012-00-4 EC: T6731224
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:331.34642g/mol
  • Molecular Formula:C19H31NO
  • XLogP3-AA:3.1
  • Exact Mass:331.062677
  • Monoisotopic Mass:331.062677
  • Complexity:611
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:108
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Tel:86-29-81870665,13609285751
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  • Tel:+86-29-85733402
  • Fax:+86-29-85733405
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  • Tel:571 85376369
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