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Home> Hot Product Listed T   > T6266628
29761-21-5 structure

T6266628

CAS No.:29761-21-5
Molecular Weight:390.452901
Molecular Formula:C21H22N2O5 (isomer)
Names and Identifiers
Synonyms

MCULE-7940243378 MOLPORT-009-392-025 n-[2-(dimethylamino)-2-phenylethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide Z116834782

Inchi
InChI=1/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3
Canonical Smiles
CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Properties
Melting Point
<-50℃
Vapour
8.27E-08mmHg at 25°C
Refractive Index
1.517
Safety and Handling
PackingGroup
III
Transport
3082
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:390.452901g/mol
  • Molecular Formula:C21H22N2O5
  • Exact Mass:390.195996
  • Monoisotopic Mass:390.195996
  • Complexity:391
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.8
  • Heavy Atom Count:27
  • 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
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Recommended Suppliers
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