ChemicalBook--->CAS DataBase List--->868390-90-3

868390-90-3

868390-90-3 Structure

868390-90-3 Structure
IdentificationBack Directory
[Name]

pyrimorph
[CAS]

868390-90-3
[Synonyms]

pyrimorph
Pyrimorph Solution in Methanol, 100μg/mL
2-Propen-1-one, 3-(2-chloro-4-pyridinyl)-3-[4-(1,1-dimethylethyl)phenyl]-1-(4-morpholinyl)-
[Molecular Formula]

C22H25ClN2O2
[MDL Number]

MFCD32655087
[MOL File]

868390-90-3.mol
[Molecular Weight]

384.9
Chemical PropertiesBack Directory
[Melting point ]

131-133°C
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly) Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C22H25ClN2O2/c1-22(2,3)18-6-4-16(5-7-18)19(17-8-9-24-20(23)14-17)15-21(26)25-10-12-27-13-11-25/h4-9,14-15H,10-13H2,1-3H3
[InChIKey]

QEUOHPLVFSQWME-UHFFFAOYSA-N
[SMILES]

C(N1CCOCC1)(=O)C=C(C1C=CN=C(Cl)C=1)C1=CC=C(C(C)(C)C)C=C1
Safety DataBack Directory
[Hazard statements ]

H412
[Precautionary statements ]

P273-P501
Hazard InformationBack Directory
[Uses]

Pyrimorph is a novel fungicide.
[in vivo]

Pyrimorph (0-28 mg/L; exposure; 0-192 h) has low toxicity and accumulates quickly in zebrafish[2].

Animal Model:Zebrafish (Brachydanio rerio), with an average body weight and length of about 0.30±0.10 g and 3.00±0.50 cm, respectively[2]
Dosage:0-28 mg/L
Administration:Exposure, 0-192 h
Result:Had low toxicity to zebrafish, with LC50 values ranging from 24.33 mg/L (24 h) to 19.79 mg/L (96 h). Accumulated in fish shortly.
Spectrum DetailBack Directory
[Spectrum Detail]

pyrimorph(868390-90-3)1HNMR
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