2-(2-Isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid

Name: 2-(2-Isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid
Brand: ChemScene
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CAS No. 172405-20-8
Cat. No. CS-0695888
Molecule weight279.25
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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2-(2-Isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid|CS-0695888

Structure of 172405-20-8

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General Information

CAS No. 172405-20-8
Cat. No. CS-0695888
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃N₅O₄
Molecular Weight 279.25
Synonym(s) None
SMILES CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(CC(O)=O)C=N2

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 129.97
LogP -0.2013
H_Acceptors 6
H_Donors 3
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Amide

Building Blocks Skeleton Aromatic heterocycle compounds Purine compounds

Key Words

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2-(2-Isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid

CAS No. 172405-20-8

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