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Home> Hot Product Listed T   > T6491546
73545-11-6 structure

T6491546

Iupac Name:7-(5-ethylnonan-2-yl)quinolin-8-ol
CAS No.:73545-11-6
Molecular Weight:299.458
Molecular Formula:C18H23N3O (isomer)
Names and Identifiers
Synonyms

MCULE-6357010626 MOLPORT-009-051-744 n-(3-{[benzyl(ethyl)carbamoyl]amino}-4-methoxyphenyl)acetamide Z411808772 ZINC40526720

Inchi
InChI=1S/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3
InChkey
YWACCMLWVBYNHR-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CC)CCC(C)C1=C(C2=C(C=CC=N2)C=C1)O
Properties
Refractive Index
1.553
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 73545-11-6 EC: T6491546 ·ECHA C&L Inventory for CAS: CAS: 73545-11-6 EC: T6491546
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:299.458g/mol
  • Molecular Formula:C18H23N3O
  • Compound Is Canonicalized:True
  • Exact Mass:299.225
  • Monoisotopic Mass:299.225
  • Complexity:306
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.1A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADQzBngQ+xvIIEgCg AzRnRASCgCAxYiAI2CA9bJgKJuLSkZOEcAhkwBHY2AeQwPAOwAABQAAKEACAAAKAABQgAAAAAAAA AA==
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