1,3-Dimethyl-7-(prop-2-yn-1-yl)-3,7-dihydro-1h-purine-2,6-dione

Name: 1,3-Dimethyl-7-(prop-2-yn-1-yl)-3,7-dihydro-1h-purine-2,6-dione
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CAS No. 14114-45-5
Cat. No. CS-0293173
Purity≥98%
MDL No.None

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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+
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1,3-Dimethyl-7-(prop-2-yn-1-yl)-3,7-dihydro-1h-purine-2,6-dione|CS-0293173

Structure of 14114-45-5

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General Information

CAS No. 14114-45-5
Cat. No. CS-0293173
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀N₄O₂
Molecular Weight 218.21
Synonym(s) Theophylline, 7-(2-propynyl)-
SMILES O=C(N1C)N(C)C2=C(N(CC#C)C=N2)C1=O

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 : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

TPSA 61.82
LogP -0.9331
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine 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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1,3-Dimethyl-7-(prop-2-yn-1-yl)-3,7-dihydro-1h-purine-2,6-dione

CAS No. 14114-45-5

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