4-((2-Oxopiperazin-1-yl)methyl)benzonitrile

Name: 4-((2-Oxopiperazin-1-yl)methyl)benzonitrile
Brand: ChemScene
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CAS No. 406496-43-3
Cat. No. CS-0452340
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-((2-Oxopiperazin-1-yl)methyl)benzonitrile|CS-0452340

Structure of 406496-43-3

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General Information

CAS No. 406496-43-3
Cat. No. CS-0452340
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃N₃O
Molecular Weight 215.25
Synonym(s) 4-[(2-Oxo-1-piperazinyl)methyl]benzonitrile
SMILES C1=C(C=CC(=C1)CN2CCNCC2=O)C#N

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 56.13
LogP 0.49008
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-((2-Oxopiperazin-1-yl)methyl)benzonitrile

CAS No. 406496-43-3

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