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Home> Hot Product Listed T   > T6573914
1922-48-1 structure

T6573914

CAS No.:1922-48-1
Molecular Weight:344.495
Molecular Formula:C9H13CLN2O2S (isomer)
Names and Identifiers
Synonyms

MCULE-5092552936 methyl({[(2-{[methyl(propan-2-yl)amino]methyl}phenyl)methyl]sulfamoyl})(propan-2-yl)amine MOLPORT-009-315-562 Z416381678 ZINC40105687

Inchi
InChI=1S/C22H32O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h5,15-18,24H,6-12H2,1-4H3
InChkey
LMVLICSGVDWDSM-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C12C3(CCC4C(C3CC1(O2)C)CC=C5C4(CCC(C5)O)C)C
Isomers Smiles
CC(=O)[C@]12[C@]3(CC[C@H]4[C@H]([C@@H]3C[C@]1(O2)C)CC=C5[C@@]4(CC[C@@H]
(C5)O)C)C
Properties
Vapour
1.73E-10mmHg at 25°C
Refractive Index
1.572
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1922-48-1 EC: T6573914 ·ECHA C&L Inventory for CAS: CAS: 1922-48-1 EC: T6573914
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:344.495g/mol
  • Molecular Formula:C9H13CLN2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:344.235
  • Monoisotopic Mass:344.235
  • Complexity:683
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:8
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAEgAAAYAAAAA0YIEAAAAAAGCAAAAAGgAACAAAD1SggAICAAAABgCI AqBSAAIAAAAgAAAACAFAAAgAEBYAAQQCQAAE4AAIAAOIyPCPgAAAAAAAAADAAAQAACAAAYAADAAA AA==
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