2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate

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CAS
13425-39-3
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Purity
96%
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Catalog Number

ACM13425393

Product Name

2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate

Structure

CAS

13425-39-3

Category

Heterocyclic Organic Compound

Synonyms

2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate;Etofylline nicotinate;Nicotinic acid 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester;Einecs 236-544-2

IUPAC Name

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate

Molecular Weight

329.3107

Molecular Formula

C₁₅H₁₅N₅O₄

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CN=CC=C3

InChI Key

ZWIAODBBEZGVPY-UHFFFAOYSA-N

Boiling Point

580.1ºC at 760mmHg

Flash Point

304.6ºC

Density

1.45g/cm³

EC Number

236-544-2

Exact Mass

329.11200

H-Bond Acceptor

H-Bond Donor

MSDS

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COA

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Spec Sheet

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