2-Amino-3,5-dimethyl-β,4,6-trioxo-1-cyclohexene-1-propanenitrile

Name: 2-Amino-3,5-dimethyl-β,4,6-trioxo-1-cyclohexene-1-propanenitrile
Brand: ChemScene
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CAS No. 887352-46-7
Cat. No. CS-0873787
Molecule weight220.22
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Amino-3,5-dimethyl-β,4,6-trioxo-1-cyclohexene-1-propanenitrile|CS-0873787

Structure of 887352-46-7

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General Information

CAS No. 887352-46-7
Cat. No. CS-0873787
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂N₂O₃
Molecular Weight 220.22
Synonym(s) None
SMILES N#CCC(C(C(C1C)=O)=C(N)C(C)C1=O)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 102.01
LogP 1.15595
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ketone

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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2-Amino-3,5-dimethyl-β,4,6-trioxo-1-cyclohexene-1-propanenitrile

CAS No. 887352-46-7

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