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Home> Hot Product Listed C   > Carbamic acid,N-(2-hydroxyethyl)-, C,C'-(oxydi-2,1-ethanediyl) ester
694499-24-6 structure

Carbamic acid,N-(2-hydroxyethyl)-, C,C'-(oxydi-2,1-ethanediyl) ester

Iupac Name:1-methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperazine
CAS No.:694499-24-6
Molecular Weight:303.285
Molecular Formula:C12H22O2 (isomer)
Names and Identifiers
Synonyms

AC1L621N AC1Q68EE Carbamicacid, (2-hydroxyethyl)-, oxydi-2,1-ethanediyl ester (9CI) CTK5B7596 NSC 43517 oxydiethane-2,1-diyl bis[(2-hydroxyethyl)carbamate] SCHEMBL10062060

Inchi
InChI=1S/C13H16F3N3O2/c1-17-4-6-18(7-5-17)9-10-2-3-11(19(20)21)8-12(10)13(14,15)16/h2-3,8H,4-7,9H2,1H3
InChkey
LIHFIIDGPWSVCX-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)CC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
Properties
Density
1.163
Boiling Point
°Cat760mmHg
Flash Point
142°C
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:303.285g/mol
  • Molecular Formula:C12H22O2
  • Compound Is Canonicalized:True
  • Exact Mass:303.119
  • Monoisotopic Mass:303.119
  • Complexity:365
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:21
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceBzMYAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHQAEAAAADAjBGBQywIMQQACB AiRCQwCCAAAgAgAoiAAIZIoIYCKAkZGUIAhggACIyAcQgIAOiAAAQAAQAAAQAACAACAAAAAAAAAA AA==
 
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