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Home> Hot Product Listed 2   > 2-(4-CHLORO-PHENYL)-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
52338-87-1 structure

2-(4-CHLORO-PHENYL)-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID

Iupac Name:1,3-bis[3-(dimethylamino)propyl]urea
CAS No.:52338-87-1
Molecular Weight:230.356
Molecular Formula:C13H8F3NO (isomer)
Names and Identifiers
Synonyms

2-(4-chlorophenyl)-3-methylquinoline-4-carboxylic acid 3260AE AB0078366 AC1LI58N AC1Q3SFG acm43071472 AJ-22893 AK-95703 AKOS003270585 ALBB-000440 BBL016552 BIM-0046544.P001 CBMICRO_046458 CHEMBRDG-BB 3000593 DB-027873 DTXSID50358003 mfcd01114916 MOLPORT-001-509-346 OPREA1_482109 ST50929028 STK424525 W-7882 ZINC442698 zx-an000433 zx-cm000067

Inchi
InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
InChkey
FCQPNTOQFPJCMF-UHFFFAOYSA-N
Canonical Smiles
CN(C)CCCNC(=O)NCCCN(C)C
Properties
Refractive Index
1.477
Flash Point
401.944°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:230.356g/mol
  • Molecular Formula:C13H8F3NO
  • Compound Is Canonicalized:True
  • Exact Mass:230.211
  • Monoisotopic Mass:230.211
  • Complexity:165
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.6A^2
  • Heavy Atom Count:16
  • 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: AAADceBzoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBAAQDAAPAAAAI AAAAEAAAAAAAAAAAAIAIAACAAAAAQAAEAAAIFgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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