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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
132-45-6 structure

5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester

Iupac Name:2-(diethylamino)ethyl 2-phenylpentanoate;hydrochloride
CAS No.:132-45-6
Molecular Weight:313.866
Molecular Formula:C48H66N2O5 (isomer)
Names and Identifiers
Synonyms

(5-fluoro-3-pyridinyl)methyl 3-methyl-5-isoxazolecarboxylate (5-fluoropyridin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate 3-Pyridinemethanol,5-fluoro-, 3-methyl-5-isoxazolecarboxylate (ester) (8CI) 5-isoxazolecarboxylic acid 3-methyl-,(5-fluoro-pyridin-3-yl)methyl ester 5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridyl)methyl ester (8CI) AC1L4RMG AKOS030567102 brn 0533031 DTXSID90178227 HE147784

Inchi
InChI=1S/C17H27NO2.ClH/c1-4-10-16(15-11-8-7-9-12-15)17(19)20-14-13-18(5-2)6-3;/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3;1H
InChkey
IATOMHNNMDOQEO-UHFFFAOYSA-N
Canonical Smiles
CCCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.Cl
Properties
Density
1.45
Boiling Point
477.9°Cat760mmHg
Vapour
1.8E-05mmHg at 25°C
Flash Point
172.7°C
Safety and Handling
Safety Statements
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and intradermal routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also ESTERS.
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:313.866g/mol
  • Molecular Formula:C48H66N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:313.181
  • Monoisotopic Mass:313.181
  • Complexity:258
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:21
  • 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:2
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