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Home> Hot Product Listed 2   > 2-(p-Cyclohexylphenyloxy)-N-[2-(diethylamino)ethyl]acetamide
128-70-1 structure

2-(p-Cyclohexylphenyloxy)-N-[2-(diethylamino)ethyl]acetamide

Iupac Name:pyranthrene-8,16-dione
CAS No.:128-70-1
Molecular Weight:406.43
Molecular Formula:C12H9N2NAO3S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C30H14O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14H
InChkey
LLBIOIRWAYBCKK-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=CC=CC=C87
Properties
Melting Point
85
Boiling Point
448.882°C at 760 mmHg
Vapour
1.2E-19mmHg at 25°C
Refractive Index
1.909
Flash Point
200.3°C
Safety and Handling
Safety Statements
22-24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:406.43g/mol
  • Molecular Formula:C12H9N2NAO3S
  • Compound Is Canonicalized:True
  • Exact Mass:406.099
  • Monoisotopic Mass:406.099
  • Complexity:763
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1A^2
  • Heavy Atom Count:32
  • 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: AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAAAAAADASAmAAwAMAAAACI AqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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