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Home> Hot Product Listed Z   > ZINC49403651
1731-92-6 structure

ZINC49403651

Iupac Name:methyl heptadecanoate
CAS No.:1731-92-6
Molecular Weight:284.47724
Molecular Formula:C25H28N4O2 (isomer)
Names and Identifiers
Synonyms

AKOS024484940 F3406-6930 MCULE-5567241715 MOLPORT-009-715-915 n-(4-methylbenzyl)-5-oxo-3,5-dihydro-2h-thiazolo[2,3-b]quinazoline-8-carboxamide VU0624189-1

Inchi
InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChkey
HUEBIMLTDXKIPR-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCCC(=O)OC
Properties
Melting Point
29.8-30.3 ºC(lit.)
Vapour
0.000107mmHg at 25°C
Refractive Index
1.442
HS Code
2915 90 70
Safety and Handling
Safety Statements
S22
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1731-92-6 EC: ZINC49403651 ·ECHA C&L Inventory for CAS: CAS: 1731-92-6 EC: ZINC49403651
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:284.47724g/mol
  • Molecular Formula:C25H28N4O2
  • XLogP3-AA:8.5
  • Exact Mass:284.27153
  • Monoisotopic Mass:284.27153
  • Complexity:202
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:20
  • 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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