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Home> Hot Product Listed T   > T6641360
358731-12-1 structure

T6641360

Iupac Name:N,N-bis(2,2,2-trideuterioethyl)aniline
CAS No.:358731-12-1
Molecular Weight:155.274
Molecular Formula:C14H18N2OS (isomer)
Names and Identifiers
Synonyms

2-(cyclopropylmethoxy)-n-{2-[(4-methanesulfonyl-2-nitrophenyl)amino]ethyl}acetamide MCULE-1082128226 MOLPORT-009-056-536 Z423274112 ZINC48301832

Inchi
InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/i1D3,2D3
InChkey
GGSUCNLOZRCGPQ-WFGJKAKNSA-N
Canonical Smiles
CCN(CC)C1=CC=CC=C1
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:155.274g/mol
  • Molecular Formula:C14H18N2OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.3
  • Exact Mass:155.158
  • Monoisotopic Mass:155.158
  • Complexity:91
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:6
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAACAjBEAQywIMAAACA ACRCQACCAAAhAgAIiAAIZIgIICLAkZGEIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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