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Home> Hot Product Listed F   > F5527-0841
19158-90-8 structure

F5527-0841

Iupac Name:3,4-dihydro-1H-isochromen-1-ylmethanamine
CAS No.:19158-90-8
Molecular Weight:163.22
Molecular Formula:C17H18CLN3O3 (isomer)
Names and Identifiers
Synonyms

AKOS024512194 MCULE-8559492901 MOLPORT-009-736-229 n-(3,5-dimethoxyphenyl)-1-(6-(2-methoxyphenyl)pyridazin-3-yl)piperidine-3-carboxamide VU0646226-1

Inchi
InChI=1S/C10H13NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2
InChkey
ILJDAFPFCCVDKU-UHFFFAOYSA-N
Canonical Smiles
C1COC(C2=CC=CC=C21)CN
Properties
Vapour
0.0021mmHg at 25°C
Refractive Index
1.547
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:163.22g/mol
  • Molecular Formula:C17H18CLN3O3
  • Compound Is Canonicalized:True
  • Exact Mass:163.1
  • Monoisotopic Mass:163.1
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAHgAQAAAADBThmAYwAIBABACA AiBCAAACAAAgAAAIiIAACIgKJiKAsRmDMAAk0AEIqAeQwKAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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