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2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, ion(1-), calcium structure
2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, ion(1-), calcium structure

2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, ion(1-), calcium

Iupac Name:N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CAS No.:639090-55-4
Molecular Weight:400.892
1. Names and Identifiers
1.1 Name
2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, ion(1-), calcium
1.2 CAS No.
639090-55-4
1.3 CID
24747174
1.4 Molecular Formula
C10H10CLF (isomer)
1.5 Inchi
InChI=1S/C18H17ClN6OS/c1-10-8-16(25-24-10)22-15-9-14(19)21-18(23-15)27-13-6-4-12(5-7-13)20-17(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,26)(H2,21,22,23,24,25)
1.6 InChkey
ULVNROIYQBQKBP-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl
1.8 Isomers Smiles
CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl
2. 3D Conformer
3. Properties
3.1 Refractive Index
1.713
4. 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

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