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Home> Hot Product Listed M   > MOLPORT-006-754-654
49553-92-6 structure

MOLPORT-006-754-654

Iupac Name:1,2-dichloroethane; ethane-1,2-diamine
CAS No.:49553-92-6
Molecular Weight:159.05748
Molecular Formula:C13H20BRNO3 (isomer)
Names and Identifiers
Synonyms

1-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-5-(trifluoromethyl)phenyl)thiourea 1-(2,4-dichlorophenyl)-3-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]thiourea AKOS022170536 CTK8A7406 HE234016 KS-00003QL2 mfcd04154193 MS-9919 ST50952993 ZINC2532769

Inchi
InChI=1/C2H4Cl2.C2H8N2/c2*3-1-2-4/h1-2H2;1-4H2
Canonical Smiles
C(CN)N.C(CCl)Cl
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:159.05748g/mol
  • Molecular Formula:C13H20BRNO3
  • Exact Mass:158.037754
  • Monoisotopic Mass:158.037754
  • Complexity:12
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52
  • Heavy Atom Count:8
  • 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:2
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