7-(But-2-yn-1-yl)-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Name: 7-(But-2-yn-1-yl)-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No. 454709-06-9
Cat. No. CS-0965355
Molecule weight252.66
Purity≥95%
MDL No.None

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7-(But-2-yn-1-yl)-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione|CS-0965355

Structure of 454709-06-9

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General Information

CAS No. 454709-06-9
Cat. No. CS-0965355
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClN₄O₂
Molecular Weight 252.66
Synonym(s) None
SMILES O=C1NC(=O)N(C=2N=C(Cl)N(C12)CC#CC)C

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 72.68
LogP 0.1
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic heterocycle compounds Purine compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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7-(But-2-yn-1-yl)-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione

CAS No. 454709-06-9

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