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Home> Hot Product Listed S   > STOCK6S-97414
72072-19-6 structure

STOCK6S-97414

Iupac Name:N,N-dioctadecylaniline
CAS No.:72072-19-6
Molecular Weight:598.101
Molecular Formula:C18H19FN6 (isomer)
Names and Identifiers
Synonyms

2-(cyclopropylamino)-n-(4-hydroxyphenyl)-1,3-thiazole-4-carboxamide AB01303302-01 AKOS005662594 BG00618985 MCULE-4065603255 MOLPORT-008-335-602 STK932648 ZINC40268252

Inchi
InChI=1S/C42H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3
InChkey
JDEDKRLRGDEWKM-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=CC=C1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 72072-19-6 EC: STOCK6S-97414 ·ECHA C&L Inventory for CAS: CAS: 72072-19-6 EC: STOCK6S-97414
Computational chemical data
  • Molecular Weight:598.101g/mol
  • Molecular Formula:C18H19FN6
  • Compound Is Canonicalized:True
  • Exact Mass:597.621
  • Monoisotopic Mass:597.621
  • Complexity:459
  • Rotatable Bond Count:35
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:43
  • 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: AAADcfB+AAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAACAjBEAQywIMAAACA ACRCQACCAAAhAgAIiAAIZIgIICLAkZGEIAhggADIyAcQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-571-85220831
  • Fax:
  • Tel:+86 021-51698675
  • Fax:
  • Tel:+86 512 62626136
  • Fax:
  • Tel:+86-752-5538396
  • Fax:+86-752-5538396
 
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